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: BOYKBKWTWKIAOM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3299073

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H32N4O6/c1-37-21-7-3-19(4-8-21)17-31-25(33)15-23(27(31)35)29-11-13-30(14-12-29)24-16-26(34)32(28(24)36)18-20-5-9-22(38-2)10-6-20/h3-10,23-24H,11-18H2,1-2H3
C28H32N4O6520.5769151100
899298

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H32N4O6/c1-37-21-7-3-19(4-8-21)17-31-25(33)15-23(27(31)35)29-11-13-30(14-12-29)24-16-26(34)32(28(24)36)18-20-5-9-22(38-2)10-6-20/h3-10,23-24H,11-18H2,1-2H3/t23-,24+
C28H32N4O6520.57692100
899299

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H32N4O6/c1-37-21-7-3-19(4-8-21)17-31-25(33)15-23(27(31)35)29-11-13-30(14-12-29)24-16-26(34)32(28(24)36)18-20-5-9-22(38-2)10-6-20/h3-10,23-24H,11-18H2,1-2H3/t23-,24-/m0/s1
C28H32N4O6520.57692100
899300

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H32N4O6/c1-37-21-7-3-19(4-8-21)17-31-25(33)15-23(27(31)35)29-11-13-30(14-12-29)24-16-26(34)32(28(24)36)18-20-5-9-22(38-2)10-6-20/h3-10,23-24H,11-18H2,1-2H3/t23-,24-/m1/s1
C28H32N4O6520.57692100
7781181

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H32N4O6/c1-37-21-7-3-19(4-8-21)17-31-25(33)15-23(27(31)35)29-11-13-30(14-12-29)24-16-26(34)32(28(24)36)18-20-5-9-22(38-2)10-6-20/h3-10,23-24H,11-18H2,1-2H3/p+2/t23-,24+
C28H34N4O6522.59171100
7781183

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H32N4O6/c1-37-21-7-3-19(4-8-21)17-31-25(33)15-23(27(31)35)29-11-13-30(14-12-29)24-16-26(34)32(28(24)36)18-20-5-9-22(38-2)10-6-20/h3-10,23-24H,11-18H2,1-2H3/p+2/t23-,24-/m1/s1
C28H34N4O6522.59171100
7781185

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H32N4O6/c1-37-21-7-3-19(4-8-21)17-31-25(33)15-23(27(31)35)29-11-13-30(14-12-29)24-16-26(34)32(28(24)36)18-20-5-9-22(38-2)10-6-20/h3-10,23-24H,11-18H2,1-2H3/p+2/t23-,24-/m0/s1
C28H34N4O6522.59171100

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