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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
Additional Filters

Found 68 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
C31H46O9562.69159800
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
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
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
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
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
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
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
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
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
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
4801340

Double-bond stereo

0 of 8 defined stereocentres - 0/8 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-
C31H46O9562.69152200
4476890

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H46O9/c1-11-15(2)29(36)40-26-21-13-12-16(3)24(30(21,8)9)27(38-19(6)33)28(39-20(7)34)31(10)23(37-18(5)32)14-22(35)17(4)25(26)31/h15,21-23,25-28,35H,4,11-14H2,1-3,5-10H3/t15?,21?,22-,23-,25-,26+,27+,28-,31+/m0/s1
C31H46O9562.69152200
3569577

Double-bond stereo

0 of 8 defined stereocentres - 0/8 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
C31H46O9562.6915399999982100
346254

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/t17-,18+,23-,24+,25+,26+,27-,31+/m1/s1
C31H46O9562.69152100
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
93734

0 of 13 defined stereocentres - 0/13 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
C31H46O9562.69152200
88298659

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
C31H46O9562.69152100
1234

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