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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
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Single/Multi-component
Isotopically Labeled
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Found 381 results

Search term: C29H48O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2006078

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O2428.69028613978299
141131

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
C29H48O2428.6902393700
5290680

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20+,22+,23-,24+,25+,27+,28+,29-/m1/s1
C29H48O2428.690220000001312400
7999673

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1
C29H48O2428.6902252600
21377729

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26?,28-,29-/m1/s1
C29H48O2428.6902231851
26666466

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27?,28-,29-/m1/s1
C29H48O2428.6902201400
10393185

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1
C29H48O2428.6902191500
429305

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H48O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-24,31H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,26+,27-,28+,29+/m0/s1
C29H48O2428.6902181500
20038712

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26-,28-,29-/m1/s1
C29H48O2428.6902181400
9605179

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23-,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O2428.6902151500
24682471

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29?/m1/s1
C29H48O2428.6902131200
9308866

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,19-20,22,24-27H,7-13,15-18H2,1-6H3/t20-,22+,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O2428.690212700
33823789

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-25,27,30-31H,7,10-15,17H2,1-6H3/b9-8+/t19-,20-,21+,22+,23-,24+,25+,27-,28-,29-/m1/s1
C29H48O2428.6902121100
3789231

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H48O2/c1-3-5-7-8-9-10-11-12-14-16-29(30)31-28-23-21-27(22-24-28)26-19-17-25(18-20-26)15-13-6-4-2/h21-26H,3-20H2,1-2H3
C29H48O2428.69022000000111700
8201186

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H48O2/c1-7-22(19(2)3)11-10-20(4)26-14-15-27-23(9-8-16-29(26,27)6)12-13-24-17-25(30)18-28(31)21(24)5/h12-13,19-20,22,25-28,30-31H,5,7-11,14-18H2,1-4,6H3/b23-12+,24-13-/t20-,22-,25-,26-,27+,28+,29-/m1/s1
C29H48O2428.690210900
167806

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H48O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h9,20-21,23-26H,6-8,10-19H2,1-5H3/t21-,23+,24-,25+,26+,27+,28-/m1/s1
C29H48O2428.690210600
389152

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H48O2/c1-18(2)29(20(4)31-29)16-11-19(3)24-9-10-25-23-8-7-21-17-22(30)12-14-27(21,5)26(23)13-15-28(24,25)6/h7,18-20,22-26,30H,8-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-,29-/m1/s1
C29H48O2428.6902101100
2301535

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H48O2/c1-18(20(3)27(4,5)31)16-19(2)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,6)26(23)13-15-29(24,25)7/h8,18,20,22-23,25-26,30-31H,9-17H2,1-7H3/b24-19+/t18-,20+,22+,23+,25+,26+,28+,29-/m1/s1
C29H48O2428.690220000001101100
20016176

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1
C29H48O2428.6902101100
33823753

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H48O2/c1-19(8-7-13-25(3,4)31)21-11-14-27(6)24-10-9-22-20(2)23(30)12-15-28(22)18-29(24,28)17-16-26(21,27)5/h7,13,19-24,30-31H,8-12,14-18H2,1-6H3/b13-7+/t19-,20+,21-,22+,23+,24+,26-,27+,28-,29+/m1/s1
C29H48O2428.690210700
12345

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