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 8 results

Search term: BPVNJNBTESVCGD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
444499

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C29H42O8/c1-14(2)20-9-17-10-27(12-30)19-8-7-15(3)18(19)11-28(17,29(20,27)25(32)33)13-34-24-21(31)23-22(16(4)35-24)36-26(5,6)37-23/h9,12,14-19,21-24,31H,7-8,10-11,13H2,1-6H3,(H,32,33)/t15-,16-,17?,18-,19-,21+,22?,23?,24-,27?,28?,29?/m1/s1
C29H42O8518.6392200
444507

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C29H42O8/c1-14(2)20-9-17-10-27(12-30)19-8-7-15(3)18(19)11-28(17,29(20,27)25(32)33)13-34-24-21(31)23-22(16(4)35-24)36-26(5,6)37-23/h9,12,14-19,21-24,31H,7-8,10-11,13H2,1-6H3,(H,32,33)/t15-,16-,17?,18-,19-,21-,22?,23?,24-,27?,28?,29?/m1/s1
C29H42O8518.6392200
446581

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C29H42O8/c1-14(2)20-9-17-10-27(12-30)19-8-7-15(3)18(19)11-28(17,29(20,27)25(32)33)13-34-24-21(31)23-22(16(4)35-24)36-26(5,6)37-23/h9,12,14-19,21-24,31H,7-8,10-11,13H2,1-6H3,(H,32,33)/t15-,16-,17?,18?,19?,21+,22-,23+,24-,27+,28+,29+/m1/s1
C29H42O8518.6392200
8003711

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O8/c1-14(2)20-9-17-10-27(12-30)19-8-7-15(3)18(19)11-28(17,29(20,27)25(32)33)13-34-24-21(31)23-22(16(4)35-24)36-26(5,6)37-23/h9,12,14-19,21-24,31H,7-8,10-11,13H2,1-6H3,(H,32,33)/t15-,16-,17-,18-,19-,21+,22-,23+,24-,27+,28+,29+/m1/s1
C29H42O8518.6392100
8025211

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H42O8/c1-14(2)20-9-17-10-27(12-30)19-8-7-15(3)18(19)11-28(17,29(20,27)25(32)33)13-34-24-21(31)23-22(16(4)35-24)36-26(5,6)37-23/h9,12,14-19,21-24,31H,7-8,10-11,13H2,1-6H3,(H,32,33)
C29H42O8518.6392100
9931070

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H42O8/c1-14(2)20-9-17-10-27(12-30)19-8-7-15(3)18(19)11-28(17,29(20,27)25(32)33)13-34-24-21(31)23-22(16(4)35-24)36-26(5,6)37-23/h9,12,14-19,21-24,31H,7-8,10-11,13H2,1-6H3,(H,32,33)/t15-,16-,17?,18-,19-,21+,22-,23+,24-,27+,28?,29+/m1/s1
C29H42O8518.6392100
23119887

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C29H42O8/c1-14(2)20-9-17-10-27(12-30)19-8-7-15(3)18(19)11-28(17,29(20,27)25(32)33)13-34-24-21(31)23-22(16(4)35-24)36-26(5,6)37-23/h9,12,14-19,21-24,31H,7-8,10-11,13H2,1-6H3,(H,32,33)/t15-,16-,17?,18-,19-,21+,22-,23+,24-,27?,28?,29?/m1/s1
C29H42O8518.6391100
23119966

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C29H42O8/c1-14(2)20-9-17-10-27(12-30)19-8-7-15(3)18(19)11-28(17,29(20,27)25(32)33)13-34-24-21(31)23-22(16(4)35-24)36-26(5,6)37-23/h9,12,14-19,21-24,31H,7-8,10-11,13H2,1-6H3,(H,32,33)/t15-,16-,17?,18-,19-,21-,22-,23+,24-,27?,28?,29?/m1/s1
C29H42O8518.6391100

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