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 6 results

Search term: YOBMBNWOJMLHDF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28425461

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C33H44O9/c1-8-16(2)30(37)42-29-27-28-31(5,15-39-27)24(40-18(4)34)13-23(35)32(28,6)22-12-25(36)41-21-11-20(19-9-10-38-14-19)17(3)26(21)33(22,29)7/h8-10,14,20-25,27-29,35-36H,11-13,15H2,1-7H3/b16-8+/t20-,21+,22-,23+,24-,25-,27-,28+,29-,31-,32+,33-/m1/s1
C33H44O9584.6971131000
57575946

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C33H44O9/c1-8-16(2)30(37)42-29-27-28-31(5,15-39-27)24(40-18(4)34)13-23(35)32(28,6)22-12-25(36)41-21-11-20(19-9-10-38-14-19)17(3)26(21)33(22,29)7/h8-10,14,20-25,27-29,35-36H,11-13,15H2,1-7H3/b16-8+/t20-,21+,22-,23+,24-,25-,27-,28?,29-,31-,32+,33-/m1/s1
C33H44O9584.69712100
82964989

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C33H44O9/c1-8-16(2)30(37)42-29-27-28-31(5,15-39-27)24(40-18(4)34)13-23(35)32(28,6)22-12-25(36)41-21-11-20(19-9-10-38-14-19)17(3)26(21)33(22,29)7/h8-10,14,20-25,27-29,35-36H,11-13,15H2,1-7H3/b16-8+/t20-,21+,22-,23+,24-,25-,27-,28?,29-,31-,32+,33-/m0/s1
C33H44O9584.69712100
113610910

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C33H44O9/c1-8-16(2)30(37)42-29-27-28-31(5,15-39-27)24(40-18(4)34)13-23(35)32(28,6)22-12-25(36)41-21-11-20(19-9-10-38-14-19)17(3)26(21)33(22,29)7/h8-10,14,20-25,27-29,35-36H,11-13,15H2,1-7H3/t20-,21+,22+,23+,24-,25-,27+,28+,29-,31-,32+,33-/m1/s1
C33H44O9584.69711100
129309516

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C33H44O9/c1-8-16(2)30(37)42-29-27-28-31(5,15-39-27)24(40-18(4)34)13-23(35)32(28,6)22-12-25(36)41-21-11-20(19-9-10-38-14-19)17(3)26(21)33(22,29)7/h8-10,14,20-25,27-29,35-36H,11-13,15H2,1-7H3/t20-,21+,22-,23+,24-,25?,27-,28+,29-,31-,32+,33-/m1/s1
C33H44O9584.69711100
73993243

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C33H44O9/c1-8-16(2)30(37)42-29-27-28-31(5,15-39-27)24(40-18(4)34)13-23(35)32(28,6)22-12-25(36)41-21-11-20(19-9-10-38-14-19)17(3)26(21)33(22,29)7/h8-10,14,20-25,27-29,35-36H,11-13,15H2,1-7H3/b16-8+/t20-,21+,22-,23+,24-,25-,27-,28+,29-,31?,32+,33-/m1/s1
C33H44O9584.69711100

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