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 7 results

Search term: KXETVEDTUWAYHA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
279370

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)
C11H11NO4221.2093574300
37779765

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)/t5-,6+,8?,9?
C11H11NO4221.20939800
555597

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)/t5-,6+,8+,9-
C11H11NO4221.20933200
10034880

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)/t5-,6+,8-,9-/m1/s1
C11H11NO4221.20932100
72448118

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)/t5-,6+,8-,9+
C11H11NO4221.20931200
3388585

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)/p-1
C11H10NO4220.20141100
10034879

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)/p-1/t5-,6-,8+,9+/m0/s1
C11H10NO4220.20191100

Advertisement