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: MSEOEMPLJOIQCS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30770810

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H46O10/c1-4-8-27(33)40-26-15-21-14-19(31)13-20(37-21)11-17(2)9-6-5-7-10-23-18(3)12-24(38-23)22(32)16-25-28(34)30(26,36)29(35)39-25/h5-7,9,17-26,28,31-32,34,36H,4,8,10-16H2,1-3H3/b7-5-,9-6+/t17-,18+,19-,20+,21+,22+,23+,24+,25+,26-,28-,30-/m0/s1
C30H46O10566.68022200
76801166

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H46O10/c1-4-8-27(33)40-26-15-21-14-19(31)13-20(37-21)11-17(2)9-6-5-7-10-23-18(3)12-24(38-23)22(32)16-25-28(34)30(26,36)29(35)39-25/h5-7,9,17-26,28,31-32,34,36H,4,8,10-16H2,1-3H3/b7-5-,9-6+/t17-,18-,19-,20+,21+,22-,23-,24-,25-,26-,28+,30+/m0/s1
C30H46O10566.68022200
129306089

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C30H46O10/c1-4-8-27(33)40-26-15-21-14-19(31)13-20(37-21)11-17(2)9-6-5-7-10-23-18(3)12-24(38-23)22(32)16-25-28(34)30(26,36)29(35)39-25/h5-7,9,17-26,28,31-32,34,36H,4,8,10-16H2,1-3H3/b7-5+,9-6+/t17-,18+,19-,20+,21+,22+,23+,24+,25+,26+,28-,30-/m0/s1
C30H46O10566.68021100
57641850

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H46O10/c1-4-8-27(33)40-26-15-21-14-19(31)13-20(37-21)11-17(2)9-6-5-7-10-23-18(3)12-24(38-23)22(32)16-25-28(34)30(26,36)29(35)39-25/h5-7,9,17-26,28,31-32,34,36H,4,8,10-16H2,1-3H3/b7-5-,9-6-/t17-,18+,19-,20+,21+,22+,23+,24+,25+,26+,28-,30-/m0/s1
C30H46O10566.68021100

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