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 4 results

Search term: PKRBCWQDXCULFS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4947574

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H47NO8/c1-8-20-14-17(2)22(30)13-11-9-10-12-18(3)35-24(32)16-23(31)27(34-7)26(20)37-28-25(33)21(29(5)6)15-19(4)36-28/h9-11,13,17-21,23,25-28,31,33H,8,12,14-16H2,1-7H3/b10-9+,13-11+
C28H47NO8525.67472200
57487431

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H47NO8/c1-8-20-14-17(2)22(30)13-11-9-10-12-18(3)35-24(32)16-23(31)27(34-7)26(20)37-28-25(33)21(29(5)6)15-19(4)36-28/h9-11,13,17-21,23,25-28,31,33H,8,12,14-16H2,1-7H3/b10-9-,13-11+
C28H47NO8525.67471100
79715658

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H47NO8/c1-8-20-14-17(2)22(30)13-11-9-10-12-18(3)35-24(32)16-23(31)27(34-7)26(20)37-28-25(33)21(29(5)6)15-19(4)36-28/h9-11,13,17-21,23,25-28,31,33H,8,12,14-16H2,1-7H3/b10-9-,13-11-/t17-,18+,19-,20?,21+,23+,25+,26+,27?,28-/m1/s1
C28H47NO8525.67471100

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