Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 10 results

Search term: QTMIOKJVXMNHMR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2108044

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3
C17H19NO3285.33766141000
687745

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3/t16-,17-/m0/s1
C17H19NO3285.33775300
687744

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3/p+1/t16-,17-/m0/s1
C17H20NO3286.34513100
687747

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3/t16-,17+/m1/s1
C17H19NO3285.33772100
687741

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3/t16-,17+/m0/s1
C17H19NO3285.33772100
687743

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3/t16-,17-/m1/s1
C17H19NO3285.33772100
687740

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3/p+1/t16-,17+/m0/s1
C17H20NO3286.34511100
687742

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3/p+1/t16-,17-/m1/s1
C17H20NO3286.34511100
687746

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3/p+1/t16-,17+/m1/s1
C17H20NO3286.34511100
4185486

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H19NO3/c1-18(2)12-16-17(19,13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20-16/h3-11,16,19H,12H2,1-2H3/p+1
C17H20NO3286.34561100

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