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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 33 results

Search term: C29H34O14 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82827036

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H34O14/c1-12-22(33)24(35)26(37)28(40-12)39-11-20-23(34)25(36)27(38)29(43-20)42-19-8-14-4-7-16(31)9-18(14)41-21(32)10-17(19)13-2-5-15(30)6-3-13/h2-7,9-10,12,19-20,22-31,33-38H,8,11H2,1H3/b17-10-/t12-,19?,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1
C29H34O14606.57195400
20100990

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-11-21(32)24(35)26(37)29(40-11)43-28-25(36)22(33)18(10-30)42-27(28)20-16(39-3)9-17-19(23(20)34)14(31)8-15(41-17)12-4-6-13(38-2)7-5-12/h4-9,11,18,21-22,24-30,32-37H,10H2,1-3H3/t11-,18+,21-,22+,24+,25-,26+,27-,28+,29-/m0/s1
C29H34O14606.57194500
2341995

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C29H34O14/c1-11-21(32)24(35)26(37)29(40-11)43-28-25(36)22(33)18(10-30)42-27(28)20-16(39-3)9-17-19(23(20)34)14(31)8-15(41-17)12-4-6-13(38-2)7-5-12/h4-9,11,18,21-22,24-30,32-37H,10H2,1-3H3/t11-,18-,21-,22-,24+,25+,26+,27?,28-,29?/m1/s1
C29H34O14606.5718599999994400
32055214

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-11-21(33)23(35)25(37)29(40-11)43-28-24(36)22(34)18(10-30)42-27(28)20-17(39-3)9-15(32)19-14(31)8-16(41-26(19)20)12-4-6-13(38-2)7-5-12/h4-9,11,18,21-25,27-30,32-37H,10H2,1-3H3/t11-,18+,21-,22+,23+,24-,25+,27-,28+,29-/m0/s1
C29H34O14606.57193300
58830003

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C29H34O14/c1-35-14-5-11(6-15(36-2)25(14)37-3)18-12-7-16-26(41-10-40-16)27(38-4)20(12)24(13-9-39-28(34)19(13)18)43-29-23(33)22(32)21(31)17(8-30)42-29/h5-7,13,17-19,21-24,29-33H,8-10H2,1-4H3/t13?,17-,18-,19?,21-,22+,23-,24+,29+/m1/s1
C29H34O14606.57192200
66423834

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c30-12-20-22(34)24(36)26(38)28(42-20)40-18-8-6-14(10-16(18)32)4-2-1-3-5-15-7-9-19(17(33)11-15)41-29-27(39)25(37)23(35)21(13-31)43-29/h2,4,6-11,20-39H,1,12-13H2/b4-2+/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29-/m1/s1
C29H34O14606.57192300
98645355

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-11-5-20(24(35)26(37)23(11)34)42-28-27(38)25(36)21(10-30)43-29(28)40-13-7-15(32)22-16(33)9-18(41-19(22)8-13)12-3-4-17(39-2)14(31)6-12/h3-4,6-9,11,20-21,23-32,34-38H,5,10H2,1-2H3/t11-,20-,21-,23+,24+,25-,26-,27+,28-,29-/m1/s1
C29H34O14606.57192200
115015719

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H34O14/c1-12-22(33)24(35)26(37)28(40-12)39-11-20-23(34)25(36)27(38)29(43-20)42-19-9-15(31)6-7-16(19)17-10-21(32)41-18(17)8-13-2-4-14(30)5-3-13/h2-7,9-10,12,18,20,22-31,33-38H,8,11H2,1H3/t12-,18?,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1
C29H34O14606.57192200
4475963

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-11-21(32)24(35)26(37)29(40-11)43-28-25(36)22(33)18(10-30)42-27(28)20-16(39-3)9-17-19(23(20)34)14(31)8-15(41-17)12-4-6-13(38-2)7-5-12/h4-9,11,18,21-22,24-30,32-37H,10H2,1-3H3/t11-,18-,21-,22-,24-,25-,26-,27+,28-,29+/m1/s1
C29H34O14606.57192200
4884621

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-12-19(30)22(33)24(35)28(41-12)40-11-18-21(32)23(34)25(36)29(43-18)42-17-9-8-15-20(31)16(10-39-26(15)27(17)38-3)13-4-6-14(37-2)7-5-13/h4-10,12,18-19,21-25,28-30,32-36H,11H2,1-3H3/t12-,18-,19+,21-,22-,23-,24-,25-,28-,29-/m1/s1
C29H34O14606.57192200
4942924

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c30-12-20-22(34)24(36)26(38)28(42-20)40-18-8-6-14(10-16(18)32)4-2-1-3-5-15-7-9-19(17(33)11-15)41-29-27(39)25(37)23(35)21(13-31)43-29/h2,4,6-11,20-39H,1,12-13H2/b4-2+/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+/m1/s1
C29H34O14606.57192200
8161711

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-12-19(30)22(33)24(35)28(41-12)40-11-18-21(32)23(34)25(36)29(43-18)42-17-9-8-15-20(31)16(10-39-26(15)27(17)38-3)13-4-6-14(37-2)7-5-13/h4-10,12,18-19,21-25,28-30,32-36H,11H2,1-3H3/t12-,18-,19-,21-,22+,23+,24+,25-,28+,29-/m1/s1
C29H34O14606.57192100
8524153

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-12-19(30)22(33)24(35)28(41-12)40-11-18-21(32)23(34)25(36)29(42-18)43-27-17(38-3)9-8-15-20(31)16(10-39-26(15)27)13-4-6-14(37-2)7-5-13/h4-10,12,18-19,21-25,28-30,32-36H,11H2,1-3H3/t12-,18-,19-,21-,22+,23+,24+,25-,28+,29+/m1/s1
C29H34O14606.57192100
8659220

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-12-21(30)24(33)26(35)28(41-12)40-11-20-23(32)25(34)27(36)29(43-20)42-19-9-17-15(8-18(19)38-3)22(31)16(10-39-17)13-4-6-14(37-2)7-5-13/h4-10,12,20-21,23-30,32-36H,11H2,1-3H3/t12-,20-,21-,23-,24+,25+,26+,27-,28+,29-/m1/s1
C29H34O14606.57192100
8921566

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H34O14/c1-12-21(33)23(35)25(37)28(39-12)43-27-24(36)22(34)20(11-38-13(2)30)42-29(27)41-18-5-3-4-16-17(32)10-19(40-26(16)18)14-6-8-15(31)9-7-14/h3-9,12,19-25,27-29,31,33-37H,10-11H2,1-2H3/t12-,19-,20+,21-,22+,23+,24-,25+,27+,28-,29+/m0/s1
C29H34O14606.57192100
8921567

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C29H34O14/c1-35-14-5-11(6-15(36-2)25(14)37-3)18-12-7-16-26(41-10-40-16)27(38-4)20(12)24(13-9-39-28(34)19(13)18)43-29-23(33)22(32)21(31)17(8-30)42-29/h5-7,13,17-19,21-24,29-33H,8-10H2,1-4H3/t13?,17-,18?,19?,21-,22+,23-,24?,29+/m1/s1
C29H34O14606.57192100
9810522

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-11-5-20(24(34)26(36)23(11)33)40-10-21-25(35)27(37)28(38)29(43-21)41-13-7-15(31)22-16(32)9-17(42-19(22)8-13)12-3-4-14(30)18(6-12)39-2/h3-4,6-9,11,20-21,23-31,33-38H,5,10H2,1-2H3/t11-,20-,21-,23+,24+,25-,26-,27+,28-,29-/m1/s1
C29H34O14606.57192100
9933077

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c30-12-20-22(34)24(36)26(38)28(42-20)40-16-8-7-15(17(32)11-16)5-3-1-2-4-14-6-9-19(18(33)10-14)41-29-27(39)25(37)23(35)21(13-31)43-29/h3,5-11,20-39H,1,12-13H2/b5-3+/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29-/m1/s1
C29H34O14606.57192100
10142257

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-12-19(30)22(33)24(35)28(41-12)40-11-18-21(32)23(34)25(36)29(42-18)43-27-17(38-3)9-8-15-20(31)16(10-39-26(15)27)13-4-6-14(37-2)7-5-13/h4-10,12,18-19,21-25,28-30,32-36H,11H2,1-3H3/t12-,18-,19-,21-,22-,23-,24-,25-,28-,29+/m1/s1
C29H34O14606.57192200
10142258

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H34O14/c1-12-21(30)24(33)26(35)28(41-12)40-11-20-23(32)25(34)27(36)29(43-20)42-19-9-17-15(8-18(19)38-3)22(31)16(10-39-17)13-4-6-14(37-2)7-5-13/h4-10,12,20-21,23-30,32-36H,11H2,1-3H3/t12-,20-,21-,23-,24-,25-,26-,27-,28-,29-/m1/s1
C29H34O14606.57192200
12

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