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 8 results

Search term: WBYAFENTWYUJID (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4507137

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3
C17H21NO4303.3529271800
4536709

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/t11-,12+
C17H21NO4303.35292100
4536710

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/t11-,12-/m1/s1
C17H21NO4303.35292100
4536711

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/t11-,12-/m0/s1
C17H21NO4303.35292100
4865496

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/p+1
C17H22NO4304.36031100
5295106

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/p+1/t11-,12+
C17H22NO4304.360881100
5295107

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/p+1/t11-,12-/m1/s1
C17H22NO4304.360881100
5295108

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/p+1/t11-,12-/m0/s1
C17H22NO4304.360881100

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