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 5 results

Search term: SXBOKJLQZQAVPU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28650012

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21-22,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16?,18-,21+,22+,28+,29-,30+/m1/s1
C30H40O7512.63444400
57257180

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21-22,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16-,18-,21?,22+,28+,29-,30+/m1/s1
C30H40O7512.63444200
58802237

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21-22,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16?,18-,21?,22+,28+,29-,30+/m1/s1
C30H40O7512.63443300
113608967

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21-22,34H,8-9,11-14H2,1-7H3,(H,36,37)/t16-,18+,21?,22+,28+,29-,30+/m1/s1
C30H40O7512.63441100
128938638

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21-22,34H,8-9,11-14H2,1-7H3,(H,36,37)/t16-,18-,21?,22+,28+,29-,30+/m1/s1
C30H40O7512.63441100

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