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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 50 results

Search term: C31H44O9 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10236991

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C31H44O9/c1-19(2)9-8-10-20(3)13-25-17-29(7)11-12-31(39-25,40-29)30(36,18-37-22(5)32)28(38-23(6)33)16-24-15-26(34)21(4)14-27(24)35/h9,13-15,25,28,34-36H,8,10-12,16-18H2,1-7H3/b20-13+/t25-,28?,29-,30?,31-/m1/s1
C31H44O9560.67574401
17463796

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C31H44O9/c1-17-27-24(38-18(2)39-27)13-26(37-17)40-20-4-9-29(16-32)22-5-8-28(3)21(19-12-25(33)36-15-19)7-11-31(28,35)23(22)6-10-30(29,34)14-20/h12,16-18,20-24,26-27,34-35H,4-11,13-15H2,1-3H3/t17?,18?,20-,21+,22-,23+,24?,26?,27?,28+,29-,30-,31-/m0/s1
C31H44O9560.67574100
17466930

7 of 13 defined stereocentres - 7/13 defined
InChI=1/C31H44O9/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/h4,7,15-17,19-23,25-28,34-36H,5-6,8-14H2,1-3H3/t17?,19-,20-,21+,22?,23+,25?,26?,27?,28?,29+,30+,31-/m0/s1
C31H44O9560.67573100
22938275

3 of 13 defined stereocentres - 3/13 defined
InChI=1/C31H44O9/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/h4,7,15-17,19-23,25-28,34-36H,5-6,8-14H2,1-3H3/t17?,19-,20?,21?,22-,23+,25?,26?,27?,28?,29?,30?,31?/m0/s1
C31H44O9560.67573200
34249407

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H44O9/c1-14-11-31-26(38-19(6)33)15(2)12-30(31,40-31)25(34)17(4)23(39-27(35)29(9)13-16(29)3)20-21(28(20,7)8)24(36-10)22(14)37-18(5)32/h11,15-17,20-24,26H,12-13H2,1-10H3/b14-11+/t15-,16+,17+,20-,21+,22+,23-,24+,26-,29-,30-,31-/m0/s1
C31H44O9560.67573300
17460987

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C31H44O9/c1-27(2)39-23-13-26(37-16-24(23)40-27)38-19-4-9-29(17-32)21-5-8-28(3)20(18-12-25(33)36-15-18)7-11-31(28,35)22(21)6-10-30(29,34)14-19/h12,17,19-24,26,34-35H,4-11,13-16H2,1-3H3/t19-,20+,21-,22+,23?,24?,26?,28+,29-,30-,31-/m0/s1
C31H44O9560.67573100
8206280

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H44O9/c1-10-17(3)12-13-30(9)19(5)14-26(36-20(6)32)31-24(28(37-21(7)33)40-29(31)38-22(8)34)15-23(16-25(30)31)39-27(35)18(4)11-2/h10,15,18-19,23,25-26,28-29H,1,3,11-14,16H2,2,4-9H3/t18?,19-,23+,25+,26+,28+,29-,30-,31?/m0/s1
C31H44O9560.67573200
8252043

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C31H44O9/c1-19(2)9-8-10-20(3)13-25-17-29(7)11-12-31(39-25,40-29)30(36,18-37-22(5)32)28(38-23(6)33)16-24-15-26(34)21(4)14-27(24)35/h9,13-15,25,28,34-36H,8,10-12,16-18H2,1-7H3/b20-13+
C31H44O9560.67573200
41801

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C31H44O9/c1-18(2)13-26(34)39-19(3)27(35)40-21-5-10-29(17-32)23-6-9-28(4)22(20-14-25(33)38-16-20)8-12-31(28,37)24(23)7-11-30(29,36)15-21/h14,17-19,21-24,36-37H,5-13,15-16H2,1-4H3/t19?,21-,22+,23?,24?,28+,29-,30-,31-/m0/s1
C31H44O9560.67573300
2340160

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C31H44O9/c1-27-11-7-19-20(30(27,35)13-8-18(27)17-5-6-23(33)37-15-17)9-14-31-25(40-31)21(10-12-28(19,31)2)39-26-24(34)29(3,36-4)22(32)16-38-26/h5-6,15,18-22,24-26,32,34-35H,7-14,16H2,1-4H3
C31H44O9560.6756599999983400
2566499

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C31H44O9/c1-17-27-24(38-18(2)39-27)13-26(37-17)40-20-4-9-29(16-32)22-5-8-28(3)21(19-12-25(33)36-15-19)7-11-31(28,35)23(22)6-10-30(29,34)14-20/h12,16-18,20-24,26-27,34-35H,4-11,13-15H2,1-3H3
C31H44O9560.67572100
2968679

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C31H44O9/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/h4,7,15-17,19-23,25-28,34-36H,5-6,8-14H2,1-3H3
C31H44O9560.6756599999982100
3042274

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C31H44O9/c1-27(2)39-23-13-26(37-16-24(23)40-27)38-19-4-9-29(17-32)21-5-8-28(3)20(18-12-25(33)36-15-18)7-11-31(28,35)22(21)6-10-30(29,34)14-19/h12,17,19-24,26,34-35H,4-11,13-16H2,1-3H3
C31H44O9560.6756599999982100
4477908

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C31H44O9/c1-15(26(38)40-8)11-16(32)14-29(5,39)19-13-21(35)31(7)22-17(33)12-18-27(2,3)20(34)9-10-28(18,4)23(22)24(36)25(37)30(19,31)6/h15,18-19,21,25,35,37,39H,9-14H2,1-8H3/t15?,18?,19-,21?,25-,28+,29?,30+,31?/m1/s1
C31H44O9560.67572200
4478439

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C31H44O9/c1-15(10-17(33)11-16(2)27(38)39)18-12-21(35)31(7)23-19(34)13-20-28(3,4)22(40-14-32)8-9-29(20,5)24(23)25(36)26(37)30(18,31)6/h14-16,18-20,22,26,34,37H,8-13H2,1-7H3,(H,38,39)/t15?,16?,18?,19?,20?,22?,26?,29?,30?,31-/m0/s1
C31H44O9560.67572200
8160863

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C31H44O9/c1-16-9-10-30(38-19(16)4)14-22-12-21(39-30)13-24-29(5,40-24)26(33)17(2)7-6-8-20-15-36-27-25(32)18(3)11-23(28(34)37-22)31(20,27)35/h6-8,11,16-17,19,21-27,32-33,35H,9-10,12-15H2,1-5H3/b7-6+,20-8+/t16-,17-,19?,21-,22-,23-,24+,25+,26+,27+,29+,30-,31+/m0/s1
C31H44O9560.67572100
8590840

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C31H44O9/c1-17-6-5-7-21-16-36-27-26(33)18(2)10-24(31(21,27)35)28(34)37-23-11-22(12-25-29(4,13-17)40-25)39-30(14-23)9-8-20(15-32)19(3)38-30/h5-7,10,17,19-20,22-27,32-33,35H,8-9,11-16H2,1-4H3/b6-5+,21-7+/t17-,19?,20+,22-,23-,24-,25+,26+,27+,29-,30-,31+/m0/s1
C31H44O9560.67572100
9299696

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H44O9/c1-10-17(3)12-13-30(9)19(5)14-26(36-20(6)32)31-24(28(37-21(7)33)40-29(31)38-22(8)34)15-23(16-25(30)31)39-27(35)18(4)11-2/h10,12,15,18-19,23,25-26,28-29H,1,11,13-14,16H2,2-9H3/b17-12+/t18?,19-,23+,25+,26+,28+,29-,30-,31+/m0/s1
C31H44O9560.67572100
9881461

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H44O9/c1-22(2)5-11-26-30(3,40-26)29-28(34-4)25(13-14-31(29)21-38-31)39-27(33)12-8-23-6-9-24(10-7-23)37-20-19-36-18-17-35-16-15-32/h5-10,12,25-26,28-29,32H,11,13-21H2,1-4H3/b12-8+/t25-,26+,28-,29-,30-,31+/m1/s1
C31H44O9560.67572100
8229098

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C31H44O9/c1-17-8-9-30(38-19(17)3)14-23-11-22(39-30)12-25-29(4,40-25)13-20(15-32)6-5-7-21-16-36-27-26(33)18(2)10-24(28(34)37-23)31(21,27)35/h5-7,10,17,19-20,22-27,32-33,35H,8-9,11-16H2,1-4H3/b6-5+,21-7+/t17-,19?,20-,22-,23-,24-,25+,26+,27+,29-,30-,31+/m0/s1
C31H44O9560.67572100
123

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