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: PUCBVOBXLMBRDL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9832068

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H44O12/c1-5-14(2)25(36)43-23-22(34)21(33)18(13-32)42-26(23)41-17-11-29(4)19-7-6-16-10-30(19,24(35)15(16)3)9-8-20(29)31(12-17,27(37)38)28(39)40/h5,16-24,26,32-35H,3,6-13H2,1-2,4H3,(H,37,38)(H,39,40)/b14-5-/t16-,17+,18-,19+,20+,21-,22+,23-,24+,26-,29+,30-/m1/s1
C31H44O12608.67394300
10025754

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C31H44O12/c1-5-14(2)25(36)43-23-22(34)21(33)18(13-32)42-26(23)41-17-11-29(4)19-7-6-16-10-30(19,24(35)15(16)3)9-8-20(29)31(12-17,27(37)38)28(39)40/h5,16-24,26,32-35H,3,6-13H2,1-2,4H3,(H,37,38)(H,39,40)/b14-5-/t16-,17+,18-,19+,20?,21-,22+,23-,24+,26-,29+,30-/m1/s1
C31H44O12608.67392100
13082037

Double-bond stereo

5 of 12 defined stereocentres - 5/12 defined
InChI=1/C31H44O12/c1-5-14(2)25(36)43-23-22(34)21(33)18(13-32)42-26(23)41-17-11-29(4)19-7-6-16-10-30(19,24(35)15(16)3)9-8-20(29)31(12-17,27(37)38)28(39)40/h5,16-24,26,32-35H,3,6-13H2,1-2,4H3,(H,37,38)(H,39,40)/b14-5-/t16?,17-,18?,19-,20?,21?,22?,23?,24-,26?,29-,30+/m0/s1
C31H44O12608.67391100
28283300

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C31H44O12/c1-5-14(2)25(36)43-23-22(34)21(33)18(13-32)42-26(23)41-17-11-29(4)19-7-6-16-10-30(19,24(35)15(16)3)9-8-20(29)31(12-17,27(37)38)28(39)40/h5,16-24,26,32-35H,3,6-13H2,1-2,4H3,(H,37,38)(H,39,40)/b14-5-/t16-,17+,18-,19+,20?,21-,22-,23-,24+,26?,29+,30-/m1/s1
C31H44O12608.67391100

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