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 3 results

Search term: BFLIMQRXKTXFPU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2160838

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C30H27N3O6/c1-18-9-11-19(12-10-18)30-29-24(16-21(17-26(29)34)20-5-4-6-22(15-20)33(38)39)31-23-7-2-3-8-25(23)32(30)27(35)13-14-28(36)37/h2-12,15,21,30-31H,13-14,16-17H2,1H3,(H,36,37)
C30H27N3O6525.551879999999181300
862935

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H27N3O6/c1-18-9-11-19(12-10-18)30-29-24(16-21(17-26(29)34)20-5-4-6-22(15-20)33(38)39)31-23-7-2-3-8-25(23)32(30)27(35)13-14-28(36)37/h2-12,15,21,30-31H,13-14,16-17H2,1H3,(H,36,37)/t21-,30+/m1/s1
C30H27N3O6525.55192100
5330428

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H27N3O6/c1-18-9-11-19(12-10-18)30-29-24(16-21(17-26(29)34)20-5-4-6-22(15-20)33(38)39)31-23-7-2-3-8-25(23)32(30)27(35)13-14-28(36)37/h2-12,15,21,30-31H,13-14,16-17H2,1H3,(H,36,37)/p-1/t21-,30+/m1/s1
C30H26N3O6524.5439399999991100

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