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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 39 results

Search term: C31H43NO6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17468914

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H43NO6/c1-20(5-6-23-4-3-15-37-23)32-19-29-12-7-22(33)17-30(29,35)13-9-26-25(29)8-11-28(2)24(10-14-31(26,28)36)21-16-27(34)38-18-21/h3-4,15-16,19-20,22,24-26,33,35-36H,5-14,17-18H2,1-2H3/b32-19+/t20?,22-,24+,25-,26+,28+,29-,30-,31-/m0/s1
C31H43NO6525.67627500
71299267

Double-bond stereo

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C31H43NO6/c1-20(5-6-23-4-3-15-37-23)32-19-29-12-7-22(33)17-30(29,35)13-9-26-25(29)8-11-28(2)24(10-14-31(26,28)36)21-16-27(34)38-18-21/h3-4,15-16,19-20,22,24-26,33,35-36H,5-14,17-18H2,1-2H3/b32-19+/t20?,22?,24?,25-,26?,28+,29-,30?,31?/m0/s1
C31H43NO6525.67626600
21540924

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C31H43NO6/c1-5-32-16-29(17-35-2)12-11-24(37-4)31-20-13-19-22(36-3)15-30(34,21(27(31)32)14-23(29)31)25(20)26(19)38-28(33)18-9-7-6-8-10-18/h6-10,19-27,34H,5,11-17H2,1-4H3/t19-,20?,21+,22+,23?,24+,25?,26+,27?,29+,30+,31-/m1/s1
C31H43NO6525.67625200
10393225

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C31H43NO6/c1-5-32-16-29(17-35-2)12-11-24(37-4)31-20-13-19-22(36-3)15-30(34,21(27(31)32)14-23(29)31)25(20)26(19)38-28(33)18-9-7-6-8-10-18/h6-10,19-27,34H,5,11-17H2,1-4H3/t19-,20-,21+,22+,23-,24+,25-,26+,27?,29+,30+,31-/m1/s1
C31H43NO6525.67623100
58825909

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H43NO6/c1-7-8-9-10-14-22(2)15-13-16-23(3)18-19-25(5)29(34)28-26(33)21-27(38-30(28)35)24(4)17-11-12-20-32-31(36)37-6/h8-9,12,15,18-21,24,33H,7,10-11,13-14,16-17H2,1-6H3,(H,32,36)/b9-8+,20-12+,22-15+,23-18+,25-19+/t24-/m1/s1
C31H43NO6525.67622200
65324690

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H43NO6/c1-31(2,3)38-30(36)32-27(23-33)28(34)17-13-8-6-4-5-7-9-14-22-37-26-20-18-25(19-21-26)29(35)24-15-11-10-12-16-24/h10-13,15-21,27-28,33-34H,4-9,14,22-23H2,1-3H3,(H,32,36)/b17-13+
C31H43NO6525.67622200
66922981

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H43NO6/c1-5-9-10-22-11-15-24(16-12-22)30(33)32-21-23-13-17-26(18-14-23)38-31(34)25-19-27(35-6-2)29(37-8-4)28(20-25)36-7-3/h13-14,17-20,22,24H,5-12,15-16,21H2,1-4H3,(H,32,33)
C31H43NO6525.67622100
70999820

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H43NO6/c1-17-15-28(38-30(17)35)20-11-13-31-12-4-14-32-29(31)10-5-22(33)19(3)24-6-8-26(36-24)27-9-7-25(37-27)23(34)16-21(31)18(20)2/h15,21-28,33-34H,3-14,16H2,1-2H3
C31H43NO6525.67622200
76756174
InChI=1/C31H43NO6/c1-6-8-17-32(18-9-7-2)19-13-10-14-20-37-31-28(33)24-15-11-12-16-25(24)38-29(31)23-21-26(34-3)30(36-5)27(22-23)35-4/h11-12,15-16,21-22H,6-10,13-14,17-20H2,1-5H3
C31H43NO6525.67622200
76760143
InChI=1/C31H43NO6/c1-6-8-12-17-32(18-13-9-7-2)19-14-20-37-31-28(33)24-15-10-11-16-25(24)38-29(31)23-21-26(34-3)30(36-5)27(22-23)35-4/h10-11,15-16,21-22H,6-9,12-14,17-20H2,1-5H3
C31H43NO6525.67622200
76794445

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H43NO6/c1-6-7-8-9-10-11-12-13-14-28(34)32-24-17-15-21-19-27(36-3)30(37-4)31(38-5)29(21)22-16-18-26(35-2)25(33)20-23(22)24/h16,18-20,24H,6-15,17H2,1-5H3,(H,32,34)/t24-/m0/s1
C31H43NO6525.67622200
3059553

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H43NO6/c1-20(5-6-23-4-3-15-37-23)32-19-29-12-7-22(33)17-30(29,35)13-9-26-25(29)8-11-28(2)24(10-14-31(26,28)36)21-16-27(34)38-18-21/h3-4,15-16,19-20,22,24-26,33,35-36H,5-14,17-18H2,1-2H3/b32-19+
C31H43NO6525.67622100
3317459

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H43NO6/c1-21(2)26-20-37-31(36)32(26)30(35)23(4)29(34)28-19-25(24-15-13-14-22(3)18-24)27(38-28)16-11-9-7-5-6-8-10-12-17-33/h13-15,18-19,21,23,26,33H,5-12,16-17,20H2,1-4H3
C31H43NO6525.67622100
3749244

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C31H43NO6/c1-5-32-16-29(17-35-2)12-11-24(37-4)31-20-13-19-22(36-3)15-30(34,21(27(31)32)14-23(29)31)25(20)26(19)38-28(33)18-9-7-6-8-10-18/h6-10,19-27,34H,5,11-17H2,1-4H3
C31H43NO6525.676222100
5099843

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H43NO6/c1-21(2)26-20-37-31(36)32(26)30(35)23(4)29(34)28-19-25(24-15-13-14-22(3)18-24)27(38-28)16-11-9-7-5-6-8-10-12-17-33/h13-15,18-19,21,23,26,33H,5-12,16-17,20H2,1-4H3/t23-,26+/m0/s1
C31H43NO6525.67622100
5141073

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H43NO6/c1-21(2)26-20-37-31(36)32(26)30(35)23(4)29(34)28-19-25(24-15-13-14-22(3)18-24)27(38-28)16-11-9-7-5-6-8-10-12-17-33/h13-15,18-19,21,23,26,33H,5-12,16-17,20H2,1-4H3/t23-,26+/m1/s1
C31H43NO6525.67622100
7982633

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H43NO6/c1-7-8-14-23-28(35)20(2)12-11-15-31(6)26(38-31)18-24(21(3)17-22-13-9-10-16-32-22)37-27(34)19-25(33)30(4,5)29(23)36/h1,9-10,13,16-17,20,23-26,28,33,35H,8,11-12,14-15,18-19H2,2-6H3/b21-17+/t20-,23+,24-,25+,26+,28-,31-/m0/s1
C31H43NO6525.67622100
8003991

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H43NO6/c1-7-8-14-23-28(35)20(2)12-11-15-31(6)26(38-31)18-24(21(3)17-22-13-9-10-16-32-22)37-27(34)19-25(33)30(4,5)29(23)36/h1,9-10,13,16-17,20,23-26,28,33,35H,8,11-12,14-15,18-19H2,2-6H3/b21-17+/t20-,23+,24-,25+,26+,28-,31+/m0/s1
C31H43NO6525.67622100
9389712

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C31H43NO6/c1-29-12-7-13-31-25-11-6-10-23(27(31)37-17-16-36-21-35-2)30(25,14-15-33)18-24(26(29)31)32(20-29)28(34)38-19-22-8-4-3-5-9-22/h3-6,8-10,23-27,33H,7,11-21H2,1-2H3/t23?,24-,25+,26+,27?,29-,30-,31+/m0/s1
C31H43NO6525.67622100
9389713

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C31H43NO6/c1-8-23(2)20-27(18-19-36-22-25-14-16-26(35-7)17-15-25)37-29(33)28(21-24-12-10-9-11-13-24)32(6)30(34)38-31(3,4)5/h8-17,23,27-28H,1,18-22H2,2-7H3/t23?,27-,28+/m1/s1
C31H43NO6525.67622100
12

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