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 5 results

Search term: FYVSPGFEVWKOFT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2144075

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H35N3O3/c1-2-3-22-37-27-16-14-26(15-17-27)34-29(35)23-28(31(34)36)32-18-20-33(21-19-32)30(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,28,30H,2-3,18-23H2,1H3
C31H35N3O3497.6279221400
7812099

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H35N3O3/c1-2-3-22-37-27-16-14-26(15-17-27)34-29(35)23-28(31(34)36)32-18-20-33(21-19-32)30(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,28,30H,2-3,18-23H2,1H3/t28-/m0/s1
C31H35N3O3497.62792100
7812102

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H35N3O3/c1-2-3-22-37-27-16-14-26(15-17-27)34-29(35)23-28(31(34)36)32-18-20-33(21-19-32)30(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,28,30H,2-3,18-23H2,1H3/t28-/m1/s1
C31H35N3O3497.62792100
7812101

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H35N3O3/c1-2-3-22-37-27-16-14-26(15-17-27)34-29(35)23-28(31(34)36)32-18-20-33(21-19-32)30(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,28,30H,2-3,18-23H2,1H3/p+2/t28-/m1/s1
C31H37N3O3499.64271100
7812098

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H35N3O3/c1-2-3-22-37-27-16-14-26(15-17-27)34-29(35)23-28(31(34)36)32-18-20-33(21-19-32)30(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,28,30H,2-3,18-23H2,1H3/p+2/t28-/m0/s1
C31H37N3O3499.64271100

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