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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
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Found 164 results

Search term: C31H48O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26344258

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
C31H48O3468.711272600
8870967

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1
C31H48O3468.711171400
8942018

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H48O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,28-,29+,30+,31-/m0/s1
C31H48O3468.711151403
255857

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H48O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-23,25H,1,9-18H2,2-8H3
C31H48O3468.711151100
9492296

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22+,23-,25+,28+,29-,30-,31+/m1/s1
C31H48O3468.711141204
2359244

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C31H48O3/c1-4-6-7-8-10-25-13-17-29(18-14-25)31(33)34-23(3)30(32)28-21-19-27(20-22-28)26-15-11-24(9-5-2)12-16-26/h19-26,29H,4-18H2,1-3H3
C31H48O3468.71102000000113900
105562

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H48O3/c1-7-19-33-29(32)34-24-15-17-30(5)23(20-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)31(27,6)18-16-28(25)30/h1,11,21-22,24-28H,8-10,12-20H2,2-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
C31H48O3468.711121200
4444171

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23-,24-,26?,31?/m1/s1
C31H48O3468.71102101100
142090

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H48O3/c1-19(17-21-18-20(2)27(32)34-21)22-11-15-31(7)24-9-10-25-28(3,4)26(33-8)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,18-19,21-23,25-26H,10-17H2,1-8H3/t19-,21-,22-,23-,25+,26-,29-,30-,31+/m1/s1
C31H48O3468.7118800
9606182

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h19,21-22,25H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,29-,30-,31+/m1/s1
C31H48O3468.71181200
10217300

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h19-20,22-23H,9-18H2,1-8H3/t20-,22+,23-,28+,29-,30-,31+/m1/s1
C31H48O3468.7117800
22875028

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H48O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22?,23+,25?,28-,29+,30+,31-/m0/s1
C31H48O3468.7117400
116002

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C31H48O3/c1-4-5-6-7-21-8-10-22(11-9-21)29(33)34-28-15-14-26-25-13-12-23-20-24(32)16-18-30(23,2)27(25)17-19-31(26,28)3/h20-22,25-28H,4-19H2,1-3H3/t21?,22?,25-,26+,27-,28-,30-,31-/m0/s1
C31H48O3468.7117500
2280610

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H48O3/c1-17(2)18(3)10-11-19(4)22-15-25(34-9)28-21-12-13-26-30(6,7)29(33)24(32)16-31(26,8)23(21)14-20(5)27(22)28/h14,17,19,22,24-26,29,32-33H,3,10-13,15-16H2,1-2,4-9H3/t19-,22-,24-,25+,26+,29+,31-/m1/s1
C31H48O3468.7110200000017600
2280611

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H48O3/c1-17(2)18(3)10-11-19(4)22-15-25(34-9)28-21-12-13-26-30(6,7)29(33)24(32)16-31(26,8)23(21)14-20(5)27(22)28/h14,17,19,22,24-26,29,32-33H,3,10-13,15-16H2,1-2,4-9H3/t19-,22-,24-,25-,26+,29+,31-/m1/s1
C31H48O3468.7110200000016600
164187

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-31(6,34)21-19-26-25(5)29(32)27-17-7-8-18-28(27)30(26)33/h7-8,17-18,22-24,34H,9-16,19-21H2,1-6H3
C31H48O3468.7116500
164605

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H48O3/c1-8-34-26(33)20-11-14-28(4)17-18-30(6)21(22(28)19-20)9-10-24-29(5)15-13-25(32)27(2,3)23(29)12-16-31(24,30)7/h9,19-20,23-25,32H,8,10-18H2,1-7H3
C31H48O3468.7116400
9049606

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H48O3/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(34)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-34H,7-10,13,16-18,20H2,1-6H3/b21-11+/t23-,26+,28-,29+,31-/m1/s1
C31H48O3468.7116500
80564697

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C31H48O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-23,25H,1,9-18H2,2-8H3/t20?,21?,22?,23?,25?,28-,29+,30+,31?/m0/s1
C31H48O3468.7115600
88298069

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H48O3/c1-20(10-9-11-21(2)27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h11-12,20,22-23,25H,9-10,13-19H2,1-8H3/b21-11+/t20-,22-,23-,25-,29+,30-,31+/m0/s1
C31H48O3468.7115400
12345

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