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: BJSSJVCQCFTQDJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29214876

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H52O11/c1-19-9-6-5-7-11-27-20(2)14-28(44-27)26(35)17-25(18-34)42-29(36)12-8-10-22-15-24(16-23(13-19)41-22)43-33-32(39-4)31(38)30(37)21(3)40-33/h5-9,12,19-28,30-35,37-38H,10-11,13-18H2,1-4H3/b7-5-,9-6+,12-8+/t19-,20+,21-,22-,23+,24+,25+,26+,27+,28+,30-,31+,32+,33-/m0/s1
C33H52O11624.75944400
75573971

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H52O11/c1-19-9-6-5-7-11-27-20(2)14-28(44-27)26(35)17-25(18-34)42-29(36)12-8-10-22-15-24(16-23(13-19)41-22)43-33-32(39-4)31(38)30(37)21(3)40-33/h5-9,12,19-28,30-35,37-38H,10-11,13-18H2,1-4H3/b7-5-,9-6+,12-8+/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28-,30-,31+,32+,33-/m0/s1
C33H52O11624.75943400
34981591

Double-bond stereo

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C33H52O11/c1-19-9-6-5-7-11-27-20(2)14-28(44-27)26(35)17-25(18-34)42-29(36)12-8-10-22-15-24(16-23(13-19)41-22)43-33-32(39-4)31(38)30(37)21(3)40-33/h5-9,12,19-28,30-35,37-38H,10-11,13-18H2,1-4H3/b7-5-,9-6+,12-8+/t19-,20-,21-,22-,23+,24+,25-,26-,27?,28?,30-,31+,32+,33-/m0/s1
C33H52O11624.75942200
57641770

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C33H52O11/c1-19-9-6-5-7-11-27-20(2)14-28(44-27)26(35)17-25(18-34)42-29(36)12-8-10-22-15-24(16-23(13-19)41-22)43-33-32(39-4)31(38)30(37)21(3)40-33/h5-9,12,19-28,30-35,37-38H,10-11,13-18H2,1-4H3/b7-5-,9-6-,12-8-/t19-,20+,21-,22-,23+,24+,25+,26+,27+,28?,30-,31+,32+,33-/m0/s1
C33H52O11624.75941100

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