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 9 results

Search term: IOVGROKTTNBUGK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30971

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
C17H21NO3287.3535465830
599993

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m1/s1
C17H21NO3287.3535262400
29424

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3
C17H21NO3287.35352562800
599992

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17+/m0/s1
C17H21NO3287.35354300
599991

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17+/m1/s1
C17H21NO3287.35352100
5296694

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/p+1/t12-,17+/m1/s1
C17H22NO3288.361482100
5296696

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/p+1/t12-,17-/m1/s1
C17H22NO3288.361482100
5296695

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/p+1/t12-,17+/m0/s1
C17H22NO3288.361481100
5296693

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/p+1/t12-,17-/m0/s1
C17H22NO3288.361481100

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