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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 69 results

Search term: C31H46O9 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59650785

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18+,22+,23+,24+,26+,27+,28+,31+/m1/s1
C31H46O9562.691510900
19975773

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C31H46O9/c1-16-28(35)23(33)13-26(38-16)40-20-7-9-29(3)19(12-20)5-6-22-21(29)8-10-30(4)27(18-11-25(34)37-15-18)24(39-17(2)32)14-31(22,30)36/h11,16,19-24,26-28,33,35-36H,5-10,12-15H2,1-4H3/t16-,19-,20+,21+,22-,23+,24+,26+,27+,28-,29+,30-,31+/m1/s1
C31H46O9562.69157700
9401841

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16?,18?,22-,23-,24-,26-,27-,28-,31-/m0/s1
C31H46O9562.69156500
26610349

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C31H46O9/c1-9-19(4)29(40-31-28(36)27(35)26(34)24(16-32)39-31)20(5)15-18(3)12-10-11-17(2)13-14-23-21(6)25(33)22(7)30(37-8)38-23/h9-10,12-15,17,20,24,26-29,31-32,34-36H,11,16H2,1-8H3/b12-10+,14-13+,18-15+,19-9+/t17?,20?,24-,26-,27+,28-,29?,31+/m1/s1
C31H46O9562.69156600
116806

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18+,22?,23+,24-,26-,27-,28-,31-/m1/s1
C31H46O9562.69154400
4579962

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H46O9/c1-16(2)15-37-27-26(40-22(8)34)19(5)25(39-21(7)33)23-24(38-20(6)32)18(4)14-31(23,11)28(35)17(3)12-13-30(9,10)29(27)36/h12-13,16-18,23-27H,5,14-15H2,1-4,6-11H3/b13-12+/t17-,18+,23-,24+,25+,26+,27-,31+/m1/s1
C31H46O9562.69154400
9378877

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C31H46O9/c1-9-12-24(33)39-28-22-15-21(38-27(36)18(5)11-3)16-23-30(8,14-13-17(4)10-2)19(6)25(34)26(35)31(22,23)29(40-28)37-20(7)32/h10,15,18-19,21,23,25-26,28-29,34-35H,2,4,9,11-14,16H2,1,3,5-8H3/t18?,19-,21+,23+,25+,26+,28+,29-,30-,31-/m0/s1
C31H46O9562.69154300
8635906

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C31H46O9/c1-9-12-24(33)39-28-22-15-21(38-27(36)18(5)11-3)16-23-30(8,14-13-17(4)10-2)19(6)25(34)26(35)31(22,23)29(40-28)37-20(7)32/h10,15,18-19,21,23,25-26,28-29,34-35H,2,4,9,11-14,16H2,1,3,5-8H3/t18?,19-,21+,23+,25+,26+,28+,29-,30-,31?/m0/s1
C31H46O9562.69153210
534525

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C31H46O9/c1-16(8-11-25(35)37-7)22-9-10-23-26-24(39-18(3)33)15-20-14-21(38-17(2)32)12-13-30(20,5)27(26)28(40-19(4)34)29(36)31(22,23)6/h16,20-24,26-28H,8-15H2,1-7H3
C31H46O9562.69153400
4474732

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3
C31H46O9562.69153800
4476891

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H46O9/c1-11-15(2)29(36)40-22-14-16(3)23-27(39-20(7)34)28(35)31(10)13-12-21(37-18(5)32)17(4)24(31)26(38-19(6)33)25(22)30(23,8)9/h15,21-22,24-28,35H,4,11-14H2,1-3,5-10H3/t15?,21-,22-,24-,25-,26-,27+,28-,31+/m0/s1
C31H46O9562.69153300
9630648

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O9/c1-10-15(2)25(38-17(4)32)16(3)20-22(33)27-21(23(34)26(20)37-9)24(35)28-30(7)13-11-18(29(5,6)36)39-19(30)12-14-31(28,8)40-27/h15-16,18-19,24-25,28,35-36H,10-14H2,1-9H3/t15-,16-,18+,19+,24+,25+,28+,30-,31+/m0/s1
C31H46O9562.69153200
58859640

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O9/c1-9-12-24(33)38-26-19(5)30(7,15-14-18(4)11-3)23-17-21(36-8)16-22-28(39-25(34)13-10-2)40-29(37-20(6)32)31(22,23)27(26)35/h11,14,16,19,21,23,26-29,35H,3,9-10,12-13,15,17H2,1-2,4-8H3/b18-14+/t19-,21+,23+,26-,27+,28+,29-,30-,31-/m1/s1
C31H46O9562.69153300
23329927

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H46O9/c1-5-6-16-30(40-29(37)14-13-27(33)34)18-19-31(39-26(30)12-10-23(3)21-28(35)36)17-15-24(4)25(38-31)11-9-22(2)8-7-20-32/h7-10,12,21,24-26,32H,5-6,11,13-20H2,1-4H3,(H,33,34)(H,35,36)/b8-7+,12-10+,22-9+,23-21+/t24-,25+,26-,30+,31-/m0/s1
C31H46O9562.69152200
28508332

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H46O9/c1-18(2)19(3)14-25(33)40-24-16-23-27(5)10-9-22(39-26(34)17-38-7)15-21(27)8-11-30(23,36)31(37)13-12-29(35,20(4)32)28(24,31)6/h8,14,18,22-24,35-37H,9-13,15-17H2,1-7H3/b19-14+/t22-,23+,24+,27-,28+,29+,30-,31+/m0/s1
C31H46O9562.69152200
28944752

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O9/c1-9-12-24(33)38-26-19(5)30(7,15-14-18(4)11-3)23-17-21(36-8)16-22-28(39-25(34)13-10-2)40-29(37-20(6)32)31(22,23)27(26)35/h11,14,16,19,21,23,26-29,35H,3,9-10,12-13,15,17H2,1-2,4-8H3/b18-14-/t19-,21+,23+,26-,27+,28+,29-,30-,31-/m1/s1
C31H46O9562.69152300
30787623

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H46O9/c1-11-15(2)29(36)40-22-12-16(3)25-23(38-19(6)33)14-31(10)24(35)13-21(37-18(5)32)17(4)26(31)28(39-20(7)34)27(22)30(25,8)9/h15,21-24,26-28,35H,4,11-14H2,1-3,5-10H3/t15?,21-,22-,23-,24-,26-,27-,28-,31+/m0/s1
C31H46O9562.69152200
58829819

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C31H46O9/c1-5-18-7-6-8-25(32)15(2)27(34)24-13-22-20(23(24)14-26(33)39-18)10-9-17-11-19(12-21(17)22)40-31-30(37-4)29(36)28(35)16(3)38-31/h9-10,13,15-23,25,28-32,35-36H,5-8,11-12,14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21-,22-,23+,25+,28+,29-,30-,31+/m1/s1
C31H46O9562.69152200
4479289

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H46O9/c1-11-15(2)29(36)40-22-14-16(3)23-27(38-19(6)33)28(39-20(7)34)31(10)13-12-21(35)17(4)24(31)26(37-18(5)32)25(22)30(23,8)9/h15,21-22,24-28,35H,4,11-14H2,1-3,5-10H3/t15?,21-,22-,24-,25-,26-,27+,28-,31+/m0/s1
C31H46O9562.69152200
9688

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C31H46O9/c1-17-25(34)27(37-3)26(35)28(39-17)40-20-8-12-30(16-32)19(14-20)5-6-23-22(30)9-11-29(2)21(10-13-31(23,29)36)18-4-7-24(33)38-15-18/h4,7,15,17,19-23,25-28,32,34-36H,5-6,8-14,16H2,1-3H3/t17?,19-,20+,21-,22?,23?,25-,26?,27?,28+,29-,30-,31+/m1/s1
C31H46O9562.69152200
1234

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