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: ORNAXAMDOONKBX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34990472

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H40N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21-22,24-25,27,33-34,36H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+/t14-,15-,16+,17-,18-,19+,21+,22?,24+,25-,27-/m0/s1
C29H40N2O6512.63773400
81363677

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H40N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21-22,24-25,27,33-34,36H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+/t14-,15+,16+,17+,18-,19+,21+,22-,24+,25-,27+/m1/s1
C29H40N2O6512.63772200
34227627

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C29H40N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21-22,24-25,27,33-34,36H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+/t14-,15-,16+,17+,18-,19+,21?,22-,24+,25-,27?/m0/s1
C29H40N2O6512.63772200
32699553

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H40N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21-22,24-25,27,33-34,36H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7-/t14-,15-,16+,17-,18-,19+,21+,22?,24+,25-,27-/m0/s1
C29H40N2O6512.63771200

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