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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 20 results

Search term: C33H54O9 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4948158

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H54O9/c1-8-9-18(3)28(37)21(6)24(41-32-31(40)30(39)29(38)25(16-35)42-32)15-23-19(4)14-22-13-17(2)12-20(5)27(22)33(23,7)26(36)10-11-34/h9,11,14,17,20-25,27-32,35,37-40H,8,10,12-13,15-16H2,1-7H3/b18-9+/t17-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30-,31+,32+,33+/m0/s1
C33H54O9594.77657400
9517317

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C33H54O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)13-22-20-6-5-18-11-19(35)12-25(32(18,4)21(20)8-9-31(22,26)3)41-30-29(38)28(37)27(36)24(14-34)40-30/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18+,19-,20-,21+,22+,23+,24-,25-,26+,27-,28+,29-,30+,31+,32+,33-/m1/s1
C33H54O9594.77655400
60596854

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H54O9/c1-16(2)7-8-17(3)25-22(41-31-29(39)30(40-6)27(37)23(15-34)42-31)14-20-24-19(10-12-33(20,25)5)32(4)11-9-18(35)13-21(32)26(36)28(24)38/h7-8,16-19,21-23,25-31,34-39H,9-15H2,1-6H3/b8-7+/t17-,18-,19+,21-,22-,23-,25+,26+,27-,28-,29-,30+,31-,32-,33+/m1/s1
C33H54O9594.77654400
58113495

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C33H54O9/c1-16-5-10-33(39-15-16)17(2)26-24(42-33)13-21-19-12-23(40-30-29(38)28(37)27(36)25(14-34)41-30)22-11-18(35)6-8-31(22,3)20(19)7-9-32(21,26)4/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27-,28+,29-,30-,31-,32+,33-/m1/s1
C33H54O9594.77653300
24694353

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C33H54O9/c1-20-14-21(2)16-27(35)29(41-8)13-11-9-10-12-22(3)32(39)42-25(6)17-23(4)30(37)31(38)28(36)18-26(34)19-33(7,40)24(5)15-20/h11-13,15,21,23,25-27,29-31,34-35,37-38,40H,1,9-10,14,16-19H2,2-8H3/b13-11+,22-12+,24-15+
C33H54O9594.77652100
128438534

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C33H54O9/c1-15-8-11-33(39-14-15)16(2)25-23(42-33)12-21-18-6-7-20-27(36)22(34)13-24(32(20,5)19(18)9-10-31(21,25)4)41-30-29(38)28(37)26(35)17(3)40-30/h15-30,34-38H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21+,22-,23+,24-,25+,26+,27+,28+,29-,30+,31+,32-,33+/m1/s1
C33H54O9594.77652200
128439453

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C33H54O9/c1-15-8-11-33(39-14-15)16(2)25-23(42-33)12-21-18-6-7-20-27(36)22(34)13-24(32(20,5)19(18)9-10-31(21,25)4)41-30-29(38)28(37)26(35)17(3)40-30/h15-30,34-38H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32-,33+/m1/s1
C33H54O9594.77652200
7968648

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C33H54O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h5,17-18,20-30,34-39H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28?,29?,30-,31+,32+,33-/m1/s1
C33H54O9594.77652200
8161526

13 of 18 defined stereocentres - 13/18 defined
InChI=1/C33H54O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18+,19+,20?,21?,22?,23?,24-,25-,26?,27+,28+,29-,30-,31+,32-,33-/m1/s1
C33H54O9594.77652100
8546714

Double-bond stereo

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C33H54O9/c1-8-9-18(3)28(37)21(6)24(41-32-31(40)30(39)29(38)25(16-35)42-32)15-23-19(4)14-22-13-17(2)12-20(5)27(22)33(23,7)26(36)10-11-34/h9,11,14,17,20-25,27-32,35,37-40H,8,10,12-13,15-16H2,1-7H3/b18-9+/t17-,20+,21?,22+,23-,24?,25+,27-,28?,29+,30-,31+,32+,33+/m0/s1
C33H54O9594.77652100
8754763

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C33H54O9/c1-4-13-37-31(7-1)40-22-19-34-16-10-28-25-29(11-17-35-20-23-41-32-8-2-5-14-38-32)27-30(26-28)12-18-36-21-24-42-33-9-3-6-15-39-33/h25-27,31-33H,1-24H2
C33H54O9594.77652100
9061757

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H54O9/c1-20-13-21(2)15-30(41-7)28(36)12-10-8-9-11-22(3)33(40)42-27(19-34)17-25(6)31(38)32(39)29(37)18-26(35)16-24(5)23(4)14-20/h10-12,14,21,24-28,30-32,34-36,38-39H,1,8-9,13,15-19H2,2-7H3/b12-10+,22-11+,23-14+/t21-,24+,25-,26+,27-,28+,30-,31+,32+/m1/s1
C33H54O9594.77652100
59700872

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H54O9/c1-8-9-18(3)28(37)21(6)24(41-32-31(40)30(39)29(38)25(16-35)42-32)15-23-19(4)14-22-13-17(2)12-20(5)27(22)33(23,7)26(36)10-11-34/h9,11,14,17,20-25,27-32,35,37-40H,8,10,12-13,15-16H2,1-7H3/b18-9+/t17-,20+,21-,22-,23-,24-,25+,27+,28+,29+,30-,31+,32+,33+/m0/s1
C33H54O9594.77652100
13079082

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C33H54O9/c1-17(15-34)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)40-30-29(38)28(37)27(36)25(16-35)41-30/h5,17-18,20-30,34-39H,6-16H2,1-4H3/t17?,18-,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33?/m0/s1
C33H54O9594.77651100
13233159

Double-bond stereo

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C33H54O9/c1-8-9-18(3)28(37)21(6)24(41-32-31(40)30(39)29(38)25(16-35)42-32)15-23-19(4)14-22-13-17(2)12-20(5)27(22)33(23,7)26(36)10-11-34/h9,11,14,17,20-25,27-32,35,37-40H,8,10,12-13,15-16H2,1-7H3/b18-9+
C33H54O9594.77651100
17263276

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C33H54O9/c1-16-5-10-33(39-15-16)17(2)26-24(42-33)13-21-19-12-23(35)22-11-18(6-8-31(22,3)20(19)7-9-32(21,26)4)40-30-29(38)28(37)27(36)25(14-34)41-30/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27-,28+,29-,30-,31-,32+,33-/m1/s1
C33H54O9594.77651100
110417225

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C33H54O9/c1-8-21(2)15-22(3)16-26(20-34)18-25(6)31(39)24(5)17-23(4)29(37)14-10-12-27(35)11-9-13-28(36)19-30(38)32(40)33(41)42-7/h9-10,12-13,16-18,20-22,24,27-32,35-40H,8,11,14-15,19H2,1-7H3/b12-10+,13-9+,23-17+,25-18+,26-16-
C33H54O9594.77651100
28536104

10 of 17 defined stereocentres - 10/17 defined
InChI=1/C33H54O9/c1-17-5-12-33(39-16-17)18(2)25-23(41-33)13-22-20-7-11-32(42-29-28(38)27(37)26(36)24(15-34)40-29)14-19(35)6-10-31(32,4)21(20)8-9-30(22,25)3/h17-29,34-38H,5-16H2,1-4H3/t17-,18-,19-,20?,21?,22?,23?,24+,25?,26+,27-,28+,29-,30-,31+,32?,33?/m0/s1
C33H54O9594.77651100
58196930

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H54O9/c1-19(28(42-22(4)36)12-13-30(5,6)38)25-8-9-26-24-16-29(37)33(39)17-23(41-21(3)35)10-15-32(33,18-40-20(2)34)27(24)11-14-31(25,26)7/h19,23-29,37-39H,8-18H2,1-7H3/t19-,23+,24-,25+,26-,27-,28-,29+,31+,32-,33-/m0/s1
C33H54O9594.77651100
58196931

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H54O9/c1-19(28(41-21(3)36)12-13-30(5,6)38)25-8-9-26-24-16-29(42-22(4)37)33(39)17-23(40-20(2)35)10-15-32(33,18-34)27(24)11-14-31(25,26)7/h19,23-29,34,38-39H,8-18H2,1-7H3/t19-,23+,24-,25+,26-,27-,28-,29+,31+,32-,33-/m0/s1
C33H54O9594.77651100

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