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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 30 results

Search term: NSFWWJIQIKBZMJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10292586

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.6225121900
4444862

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
C29H40O9532.6224999999997700
8090666

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.62257500
4519365

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-
C29H40O9532.62255600
16738380

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19+,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.62255700
24642327

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
C29H40O9532.62255500
4945005

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19+,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.62254300
28525542

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19?,20?,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.622533200
50645332

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19?,20?,21-,22-,23?,25+,27?,28-,29-/m1/s1
C29H40O9532.62253200
58827752

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6?/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.62252200
59207794

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6+/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
C29H40O9532.62252300
24676719

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25-,27-,28-,29+/m1/s1
C29H40O9532.62252200
24957336

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
C29H40O9532.62252200
21171665

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6+
C29H40O9532.62252300
5143338

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/t18-,19?,20?,21-,22-,23-,25+,27-,28-,29+/m1/s1
C29H40O9532.62252100
8004213

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19?,20?,21-,22?,23?,25+,27-,28-,29+/m1/s1
C29H40O9532.62252100
10141971

Double-bond stereo

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18?,19?,20-,21-,22?,23+,25?,27+,28?,29+/m1/s1
C29H40O9532.62252200
4531265

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19?,20?,21-,22-,23?,25+,27?,28-,29+/m1/s1
C29H40O9532.62252200
4941053

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19-,20-,21-,22-,23-,25?,27-,28-,29+/m1/s1
C29H40O9532.62252200
437425

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3
C29H40O9532.62252100
12

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