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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 49 results

Search term: C29H34O16 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8276167

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1
C29H34O16638.5707302500
4576680

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-13(30)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1
C29H34O16638.5707111300
4590919

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-3-40-15-7-12(30)8-16-18(15)21(35)27(26(43-16)11-4-5-13(31)14(32)6-11)45-29-25(39)23(37)20(34)17(44-29)9-41-28-24(38)22(36)19(33)10(2)42-28/h4-8,10,17,19-20,22-25,28-34,36-39H,3,9H2,1-2H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1
C29H34O16638.57077900
4592798

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(45-17)43-12-7-14(31)18-16(8-12)44-26(27(40-3)21(18)34)11-4-5-15(39-2)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29+/m0/s1
C29H34O16638.57077600
32699297

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-10-19(32)22(35)24(37)28(41-10)42-12-7-13(31)18-16(8-12)43-26(11-4-5-14(39-2)15(6-11)40-3)27(21(18)34)45-29-25(38)23(36)20(33)17(9-30)44-29/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28-,29-/m0/s1
C29H34O16638.57074600
58827387

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28-,29+/m0/s1
C29H34O16638.57074500
10167539

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H34O16/c1-10-22(36)26(45-28-25(39)24(38)23(37)20(9-30)44-28)27(41-11(2)31)29(40-10)43-17-4-3-12(32)5-14(17)18-8-16(35)21-15(34)6-13(33)7-19(21)42-18/h3-7,10,18,20,22-30,32-34,36-39H,8-9H2,1-2H3/t10-,18-,20+,22-,23+,24-,25+,26+,27+,28-,29-/m0/s1
C29H34O16638.57074300
84487453

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-39-12-5-3-11(4-6-12)15-7-13(32)19-14(33)8-16(40-2)25(26(19)41-15)44-29-27(23(37)21(35)18(10-31)43-29)45-28-24(38)22(36)20(34)17(9-30)42-28/h3-8,17-18,20-24,27-31,33-38H,9-10H2,1-2H3/t17-,18-,20-,21-,22+,23+,24-,27-,28+,29+/m1/s1
C29H34O16638.57074200
95502686

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-10(31)16-21(36)17(28-26(41)24(39)19(34)13(8-30)44-28)23(38)18(22(16)37)29-27(42)25(40)20(35)14(45-29)9-43-15(33)7-4-11-2-5-12(32)6-3-11/h2-7,13-14,19-20,24-30,32,34-42H,8-9H2,1H3/b7-4+/t13-,14-,19-,20-,24+,25+,26-,27-,28+,29+/m1/s1
C29H34O16638.57074400
8874643

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-9-4-10-16(11(5-9)40-2)23(35)17-12(6-13(41-3)20(32)18(17)19(10)31)43-29-27(39)25(37)22(34)15(45-29)8-42-28-26(38)24(36)21(33)14(7-30)44-28/h4-6,14-15,21-22,24-30,32-34,36-39H,7-8H2,1-3H3/t14-,15-,21-,22-,24+,25+,26-,27-,28-,29-/m1/s1
C29H34O16638.57073200
9311093

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H34O16/c1-38-12-4-5-13-14(8-12)42-26(11-6-15(39-2)20(32)16(7-11)40-3)27(19(13)31)45-28-24(36)22(34)18(10-41-28)44-29-25(37)23(35)21(33)17(9-30)43-29/h4-8,17-18,21-25,28-30,32-37H,9-10H2,1-3H3/t17-,18-,21+,22+,23+,24-,25-,28+,29+/m1/s1
C29H34O16638.57073200
9540631

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H34O16/c1-38-15-8-14-17(19(34)27(40-3)23(42-14)11-6-4-5-7-12(11)31)26(25(15)39-2)45-29-22(37)20(35)24(16(9-30)43-29)44-28-21(36)18(33)13(32)10-41-28/h4-8,13,16,18,20-22,24,28-33,35-37H,9-10H2,1-3H3/t13-,16-,18+,20-,21-,22-,24-,28+,29+/m1/s1
C29H34O16638.57072100
9939395

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C29H34O16/c1-14(20(42-16(3)30)15(2)13-17-7-5-4-6-8-17)11-12-27-21(34)22(43-19(33)10-9-18(31)32)29(45-27,26(39)40)28(41,25(37)38)23(44-27)24(35)36/h4-8,15,20-23,34,41H,1,9-13H2,2-3H3,(H,31,32)(H,35,36)(H,37,38)(H,39,40)/t15?,20?,21-,22-,23-,27-,28-,29-/m1/s1
C29H34O16638.57072100
9290024

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H34O16/c1-38-12-6-14(31)20-15(7-12)41-9-13(21(20)32)11-4-16(39-2)27(40-3)17(5-11)43-29-26(37)24(35)23(34)19(45-29)10-42-28-25(36)22(33)18(8-30)44-28/h4-7,9,18-19,22-26,28-31,33-37H,8,10H2,1-3H3/t18-,19+,22-,23+,24-,25+,26+,28+,29+/m0/s1
C29H34O16638.57072100
8408558

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-11-19(33)22(36)24(38)28(42-11)41-10-17-20(34)23(37)25(39)29(44-17)45-27-21(35)18-13(31)3-2-4-16(18)43-26(27)12-5-6-15(14(32)9-12)40-8-7-30/h2-6,9,11,17,19-20,22-25,28-34,36-39H,7-8,10H2,1H3/t11-,17-,19-,20-,22+,23+,24+,25-,28-,29+/m1/s1
C29H34O16638.57072100
8524607

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-39-15-7-13-14(8-16(15)40-2)41-25(11-3-5-12(32)6-4-11)26(19(13)33)44-29-27(23(37)21(35)18(10-31)43-29)45-28-24(38)22(36)20(34)17(9-30)42-28/h3-8,17-18,20-24,27-32,34-38H,9-10H2,1-2H3/t17-,18-,20-,21+,22+,23+,24-,27-,28+,29+/m1/s1
C29H34O16638.57072100
115040797

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24-,25-,28+,29-/m0/s1
C29H34O16638.57072200
29415999

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H34O16/c1-38-13-7-14(32)19-17(8-13)42-23(24(40-3)21(19)34)12-4-5-15(16(6-12)39-2)43-27-25(22(35)20(33)18(9-30)44-27)45-28-26(36)29(37,10-31)11-41-28/h4-8,18,20,22,25-28,30-33,35-37H,9-11H2,1-3H3/t18-,20-,22+,25-,26+,27-,28+,29-/m1/s1
C29H34O16638.57072200
68024375

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,20,22-34,37-40H,10-11H2,1H3/b7-3+/t12-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
C29H34O16638.57072200
82964919

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m1/s1
C29H34O16638.57072100
123

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