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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 60 results

Search term: C31H54O2 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4941707

Double-bond stereo
InChI=1/C31H54O2/c1-8-9-10-11-12-13-14-15-22-31(32-25-23-29(6)20-16-18-27(2)3)33-26-24-30(7)21-17-19-28(4)5/h8,18-19,23-24,31H,1,9-17,20-22,25-26H2,2-7H3/b29-23+,30-24+
C31H54O2458.7593101400
62987210

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h21-26,32-33H,1,10-19H2,2-9H3/t21-,22-,23+,24+,25-,26+,28+,29-,30-,31+/m1/s1
C31H54O2458.759310900
20036080

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H54O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-29H,8-19H2,1-7H3/t21-,23-,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1
C31H54O2458.75935701
23352189

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H54O2/c1-8-9-10-11-12-13-14-15-22-31(32-25-23-29(6)20-16-18-27(2)3)33-26-24-30(7)21-17-19-28(4)5/h8,18-19,23-24,31H,1,9-17,20-22,25-26H2,2-7H3
C31H54O2458.75934500
28689158
InChI=1/C31H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)31(32)33/h24-25,27-28H,2-23,26H2,1H3,(H,32,33)
C31H54O2458.75934300
9423166

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H54O2/c1-4-5-6-7-8-9-10-11-12-13-19-31(33)22-21-29(2)24(23-31)14-15-25-26-16-17-28(32)30(26,3)20-18-27(25)29/h24-27,33H,4-23H2,1-3H3/t24?,25-,26-,27-,29-,30-,31+/m0/s1
C31H54O2458.75934300
32698302

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H54O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h21-28H,7-20H2,1-6H3/t22-,23+,24+,25+,26-,27+,28+,30+,31-/m1/s1
C31H54O2458.75934600
4932722

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C31H54O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-29H,8-19H2,1-7H3/t21?,23?,24-,25?,26?,27?,28?,29?,30?,31?/m1/s1
C31H54O2458.75934400
4932753

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C31H54O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h20-21,23-28H,9-19H2,1-8H3/t21-,23?,24?,25?,26?,27?,28-,30+,31+/m0/s1
C31H54O2458.75934400
461576

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C31H54O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-29H,8-19H2,1-7H3
C31H54O2458.75934500
493299

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H54O2/c1-21(2)9-8-10-22(3)24-12-13-25-23-11-14-27-28(4,5)31(32-19-20-33-31)18-17-30(27,7)26(23)15-16-29(24,25)6/h21-27H,8-20H2,1-7H3
C31H54O2458.75933400
4518269

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H54O2/c1-25(2)15-12-18-28(5)21-13-19-26(3)16-10-11-17-27(4)20-14-22-29(6)23-24-30(32)31(7,8)33-9/h15-17,21-22,30,32H,10-14,18-20,23-24H2,1-9H3/b26-16+,27-17+,28-21+,29-22+
C31H54O2458.75933400
34448451

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H54O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,17,21-26,32H,11-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,24+,25-,26-,29+,30-,31+/m0/s1
C31H54O2458.75933400
57512678

Double-bond stereo
InChI=1/C31H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h24-28,32-33H,2-23H2,1H3/b25-24+
C31H54O2458.75933300
9434698

Double-bond stereo
InChI=1/C31H54O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30(32)33-26-24-27(2)22-23-29-28(3)20-19-25-31(29,4)5/h22-24H,6-21,25-26H2,1-5H3/b23-22+,27-24+
C31H54O2458.75932100
9926201

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H54O2/c1-21(2)9-8-10-23(5)27-13-14-28-26-12-11-24-19-25(33-20-32-22(3)4)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,21-23,25-29H,8-10,12-20H2,1-7H3/t23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
C31H54O2458.75932100
28708418

Double-bond stereo
InChI=1/C31H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h24-28,32-33H,2-23H2,1H3
C31H54O2458.75932100
215653

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H54O2/c1-20(2)10-9-11-21(3)22-15-18-31(8)24-12-13-26-28(4,5)25(27(32)33)14-17-29(26,6)23(24)16-19-30(22,31)7/h20-26H,9-19H2,1-8H3,(H,32,33)/t21-,22-,23+,24-,25-,26+,29-,30-,31+/m1/s1
C31H54O2458.75932200
3466313

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H54O2/c1-20(2)10-9-11-21(3)22-15-18-31(8)24-12-13-26-28(4,5)25(27(32)33)14-17-29(26,6)23(24)16-19-30(22,31)7/h20-26H,9-19H2,1-8H3,(H,32,33)
C31H54O2458.7592600000012100
9223960

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C31H54O2/c1-8-22(19(2)3)24(29(32)33)18-21(5)26-13-14-27-23-11-12-25-20(4)10-9-16-30(25,6)28(23)15-17-31(26,27)7/h19-28H,8-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,24?,25+,26-,27+,28+,30+,31-/m1/s1
C31H54O2458.75932100
123

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