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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 234 results

Search term: C31H48O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
61901

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H48O4/c1-4-5-6-7-8-9-10-11-23(32)21-29(34)35-28-15-14-26-25-13-12-22-20-24(33)16-18-30(22,2)27(25)17-19-31(26,28)3/h20,25-28H,4-19,21H2,1-3H3/t25-,26-,27-,28-,30-,31-/m0/s1
C31H48O4484.7104313300
19999503

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25+,26+,29-,30-,31+/m1/s1
C31H48O4484.7104272300
24620251

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H48O4/c1-21(18-32)8-7-9-22(2)24-12-14-29(5)26-11-10-25(23(3)19-33)30(15-13-27(34)35-6)20-31(26,30)17-16-28(24,29)4/h8,18,22,24-26,33H,3,7,9-17,19-20H2,1-2,4-6H3/b21-8+/t22-,24-,25+,26+,28-,29+,30-,31+/m1/s1
C31H48O4484.7104201700
92270

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29-,30+,31+/m0/s1
C31H48O4484.7104201800
8181161

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25-,26+,29-,30-,31+/m1/s1
C31H48O4484.7104191600
546307

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3
C31H48O4484.7104161200
29211959

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C31H48O4/c1-26(2)13-15-31(25(34)35-8)16-14-30(7)24(19(31)18-26)20(32)17-22-28(5)11-10-23(33)27(3,4)21(28)9-12-29(22,30)6/h17,19,21,23-24,33H,9-16,18H2,1-8H3/t19-,21?,23-,24+,28+,29-,30-,31+/m1/s1
C31H48O4484.7104161400
187449

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24?,25+,26+,29-,30-,31+/m1/s1
C31H48O4484.7104151400
28285169

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H48O4/c1-20(2)23-12-13-26-25(29(23,5)17-16-27(32)35-8)15-19-30(6)24(14-18-31(26,30)7)21(3)10-9-11-22(4)28(33)34/h11,15,21,23-24,26H,1,9-10,12-14,16-19H2,2-8H3,(H,33,34)/b22-11-/t21-,23+,24-,26-,29+,30-,31+/m1/s1
C31H48O4484.7104131100
1682049

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C31H48O4/c1-3-5-27-7-13-30(14-8-27,15-9-27)34-25(32)23-19-29(20-23)21-24(22-29)26(33)35-31-16-10-28(6-4-2,11-17-31)12-18-31/h23-24H,3-22H2,1-2H3
C31H48O4484.710412700
552697

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H48O4/c1-19(2)23-9-10-26-25(29(23,5)14-13-27(32)34-8)12-16-30(6)24(11-15-31(26,30)7)20(3)17-22-18-21(4)28(33)35-22/h10,20-25H,1,9,11-18H2,2-8H3/t20-,21-,22-,23+,24-,25-,29+,30-,31+/m1/s1
C31H48O4484.710410800
57256922

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H48O4/c1-19-11-16-31(25(33)35-8)18-17-28(5)20(24(31)30(19,7)34)9-10-22-27(4)14-13-23(32)26(2,3)21(27)12-15-29(22,28)6/h9,19,21-22,24,34H,10-18H2,1-8H3/t19-,21+,22-,24-,27+,28-,29-,30-,31+/m1/s1
C31H48O4484.710410700
4954194

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H48O4/c1-19(2)9-8-10-20(3)26-13-14-27-25-12-11-23-17-24(34-21(4)32)18-29(35-22(5)33)31(23,7)28(25)15-16-30(26,27)6/h11-12,19-20,24,26-29H,8-10,13-18H2,1-7H3/t20-,24-,26-,27+,28+,29+,30-,31+/m1/s1
C31H48O4484.710410900
114696

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H48O4/c1-26(2)21-11-14-31(7)22(29(21,5)13-12-23(26)32)10-9-19-20-17-27(3,25(34)35-8)18-24(33)28(20,4)15-16-30(19,31)6/h9,20-22,24,33H,10-18H2,1-8H3/t20-,21?,22-,24+,27-,28-,29+,30-,31-/m1/s1
C31H48O4484.71048600
117103
InChI=1/C31H48O4/c1-28(2,3)22-16-20(17-23(26(22)32)29(4,5)6)34-14-13-15-35-21-18-24(30(7,8)9)27(33)25(19-21)31(10,11)12/h16-19,32-33H,13-15H2,1-12H3
C31H48O4484.71048600
4579891

Double-bond stereo
InChI=1/C31H48O4/c1-22(2)14-11-15-23(3)16-12-17-24(4)18-13-19-25(5)20-21-27-26(6)28(32-7)30(34-9)31(35-10)29(27)33-8/h14,16,18,20H,11-13,15,17,19,21H2,1-10H3/b23-16+,24-18+,25-20+
C31H48O4484.71048700
10283542

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H48O4/c1-18-19(26(34)35-8)17-24(33)29(5)15-16-30(6)20(25(18)29)9-10-22-28(4)13-12-23(32)27(2,3)21(28)11-14-31(22,30)7/h9,18-19,21-22,24-25,33H,10-17H2,1-8H3/t18-,19+,21-,22+,24-,25-,28-,29-,30+,31+/m0/s1
C31H48O4484.71048700
17466803

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22?,23+,24?,27-,28+,29+,30-,31-/m1/s1
C31H48O4484.71048400
17467303

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C31H48O4/c1-6-7-27(32)34-22-11-13-29(4)21(16-22)8-9-23-24(29)12-14-30(5)25(23)17-26-28(30)20(3)31(35-26)15-10-19(2)18-33-31/h8,19-20,22-26,28H,6-7,9-18H2,1-5H3/t19-,20+,22-,23-,24+,25+,26+,28+,29+,30+,31-/m1/s1
C31H48O4484.71048400
2339923

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H48O4/c1-26(2)21-11-14-31(7)22(28(21,4)13-12-23(26)32)10-9-19-20-17-29(5,25(34)35-8)24(33)18-27(20,3)15-16-30(19,31)6/h9-10,21-24,32-33H,11-18H2,1-8H3/t21-,22+,23-,24+,27-,28-,29-,30+,31+/m0/s1
C31H48O4484.7104200000017600
12345

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