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 13 results

Search term: KDCSSVADTHDYGI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4953583

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21-,24+,28-,29-,30+/m1/s1
C30H46O3454.6844141300
57256986

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24?,28-,29-,30+/m1/s1
C30H46O3454.68445300
13086941

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19?,21-,24+,28-,29-,30+/m1/s1
C30H46O3454.68444400
23281204

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21?,24?,28+,29-,30+/m0/s1
C30H46O3454.68443300
57579937

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,21-,24+,28-,29-,30+/m1/s1
C30H46O3454.68443200
8564714

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21-,24-,28+,29-,30+/m0/s1
C30H46O3454.68443300
10251007

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24+,28-,29-,30+/m1/s1
C30H46O3454.68443400
113590176

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24?,28-,29-,30+/m0/s1
C30H46O3454.68441100
113609847

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,21+,24?,28-,29-,30+/m1/s1
C30H46O3454.68441100
115015479

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21?,24+,28-,29-,30+/m1/s1
C30H46O3454.68441100
25022894

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19u,21-,24+,28-,29-,30+/m1/s1
C30H46O3454.68441100
32770811

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19?,21-,24-,28+,29-,30+/m0/s1
C30H46O3454.68441100

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