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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 40 results

Search term: C31H42O3 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17588385

Double-bond stereo
InChI=1/C31H42O3/c1-21(2)11-8-12-23(5)13-9-14-24(6)15-10-16-25(7)17-18-26-19-27(32)20-28-29(22(3)4)31(33)34-30(26)28/h11,13,15,17,19-20,32H,8-10,12,14,16,18H2,1-7H3/b23-13+,24-15+,25-17+
C31H42O3462.6634262200
57577011

Double-bond stereo
InChI=1/C31H42O3/c1-21(2)11-8-12-23(5)13-9-14-24(6)15-10-16-25(7)17-18-26-19-27(32)20-28-29(22(3)4)31(33)34-30(26)28/h11,13,15,17,19-20,32H,8-10,12,14,16,18H2,1-7H3
C31H42O3462.66346500
29272844

Double-bond stereo
InChI=1/C31H42O3/c1-25(15-9-10-16-26(2)21-13-23-29(5)30(32)34-8)17-11-18-27(3)19-12-20-28(4)22-14-24-31(6,7)33/h9-23,33H,24H2,1-8H3/b10-9+,17-11+,19-12+,21-13+,22-14+,25-15+,26-16+,27-18+,28-20+,29-23+
C31H42O3462.66344400
76763664

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H42O3/c1-5-6-7-8-9-10-11-12-13-16-25(23-19-21-24(22-20-23)31(2,3)4)28-29(32)26-17-14-15-18-27(26)34-30(28)33/h14-15,17-22,25,32H,5-13,16H2,1-4H3
C31H42O3462.66343300
16736355

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-29-30(6,7)21-28(33)22-31(29,8)34/h9-19,28,33-34H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+
C31H42O3462.663434212
28707065

Double-bond stereo
InChI=1/C31H42O3/c1-2-3-4-5-6-7-8-12-25-33-29-20-15-26(16-21-29)17-24-31(32)34-30-22-18-28(19-23-30)27-13-10-9-11-14-27/h15-24,27H,2-14,25H2,1H3
C31H42O3462.66343200
28493402

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H42O3/c1-19(2)21-8-5-20(6-9-21)7-12-27(33)26-11-10-24-23-17-28-31(34-28)18-22(32)13-16-30(31,4)25(23)14-15-29(24,26)3/h5-9,12,19,22-26,28,32H,10-11,13-18H2,1-4H3/b12-7+/t22-,23-,24-,25-,26+,28-,29-,30+,31-/m0/s1
C31H42O3462.66342200
3657845

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H42O3/c1-30-15-13-24(34-28-10-6-7-17-33-28)20-23(30)11-12-25-26(30)14-16-31(2)27(25)19-22(29(31)32)18-21-8-4-3-5-9-21/h3-5,8-9,18,23-28H,6-7,10-17,19-20H2,1-2H3
C31H42O3462.663382100
8248609

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H42O3/c1-6-7-8-12-17-30(2,3)23-18-27(33-21-22-13-10-9-11-14-22)29-25-20-24(32)15-16-26(25)31(4,5)34-28(29)19-23/h9-11,13-14,18-19,25-26H,6-8,12,15-17,20-21H2,1-5H3/t25-,26-/m1/s1
C31H42O3462.66342100
8291180

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C31H42O3/c1-20(8-9-22-10-14-25(15-11-22)31(3,4)34)27-16-17-28-23(6-5-7-29(27)28)12-13-24-18-26(32)19-30(33)21(24)2/h8-15,20,26-30,32-34H,2,5-7,16-19H2,1,3-4H3/b9-8-,23-12+,24-13-/t20-,26+,27?,28?,29+,30-/m0/s1
C31H42O3462.66342100
8315134

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C31H42O3/c1-20(8-9-22-10-14-25(15-11-22)31(3,4)34)27-16-17-28-23(6-5-7-29(27)28)12-13-24-18-26(32)19-30(33)21(24)2/h8-15,20,26-30,32-34H,2,5-7,16-19H2,1,3-4H3/b9-8-,23-12+,24-13-/t20-,26-,27?,28?,29-,30+/m1/s1
C31H42O3462.66342100
9309482

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H42O3/c1-21(8-7-19-34-29(33)22-9-5-4-6-10-22)26-13-14-27-25-12-11-23-20-24(32)15-17-30(23,2)28(25)16-18-31(26,27)3/h4-6,9-10,20-21,25-28H,7-8,11-19H2,1-3H3/t21-,25+,26-,27+,28+,30+,31-/m1/s1
C31H42O3462.66342100
9907987

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-29-30(6,7)21-28(33)22-31(29,8)34/h9-19,28,33-34H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+/t20?,28-,31+/m0/s1
C31H42O3462.66342100
76783334

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H42O3/c1-21(2)10-8-11-22(3)27-16-17-28-29(34-30(33)24-14-9-15-26(32)18-24)19-25(20-31(27,28)4)23-12-6-5-7-13-23/h5-7,9,12-15,18,21-22,25,27-29,32H,8,10-11,16-17,19-20H2,1-4H3/t22-,25+,27-,28+,29+,31-/m1/s1
C31H42O3462.66342200
57512287

Double-bond stereo
InChI=1/C31H42O3/c1-2-3-4-5-6-7-8-12-25-33-29-20-15-26(16-21-29)17-24-31(32)34-30-22-18-28(19-23-30)27-13-10-9-11-14-27/h15-24,27H,2-14,25H2,1H3/b24-17+
C31H42O3462.66342200
58130817

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H42O3/c1-21-24(19-25(32)20-29(21)33)14-13-23-11-8-18-31(4)27(23)15-16-28(31)26-12-6-5-9-22(26)10-7-17-30(2,3)34/h5-6,9,12-14,16,25,27,29,32-34H,1,7-8,10-11,15,17-20H2,2-4H3/b23-13+,24-14-/t25-,27+,29+,31+/m1/s1
C31H42O3462.66342200
58130818

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H42O3/c1-21-24(19-26(32)20-29(21)33)13-12-23-11-7-17-31(4)27(23)14-15-28(31)25-10-5-8-22(18-25)9-6-16-30(2,3)34/h5,8,10,12-13,15,18,26-27,29,32-34H,1,6-7,9,11,14,16-17,19-20H2,2-4H3/b23-12+,24-13-/t26-,27+,29+,31+/m1/s1
C31H42O3462.66342200
61713044

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H42O3/c1-5-8-25-19-28(31(34,6-2)7-3)15-16-29(25)30-18-24(10-9-22(30)4)12-11-23-13-14-26(20-32)27(17-23)21-33/h9-10,13-16,18-19,23,32-34H,5-8,11-12,17,20-21H2,1-4H3/t23-/m1/s1
C31H42O3462.66342200
12

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