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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 56 results

Search term: C29H26O10 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21169513

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-32,35H,5-6,9H2,1-4H3
C29H26O10534.5107232300
2573

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3
C29H26O10534.5107211600
4514191

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H26O10/c1-10(30)5-14-20-18-12(24(34)26(14)36-3)7-16(32)28-22(18)23-19-13(8-17(33)29(23)39-9-38-28)25(35)27(37-4)15(21(19)20)6-11(2)31/h7-8,10-11,30-33H,5-6,9H2,1-4H3
C29H26O10534.5107121100
10188562

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-33H,5-6,9H2,1-4H3/t10-,11-/m1/s1
C29H26O10534.51071213021
24540330

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C29H26O10/c1-18(30)35-17-22-23(37-26(31)19-11-5-2-6-12-19)24(38-27(32)20-13-7-3-8-14-20)25(29(34)36-22)39-28(33)21-15-9-4-10-16-21/h2-16,22-25,29,34H,17H2,1H3/t22-,23-,24+,25+,29?/m1/s1
C29H26O10534.510712400
29413728

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-33H,5-6,9H2,1-4H3/t10-,11-/m0/s1
C29H26O10534.51079900
320379

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3/t10-,11-/m0/s1
C29H26O10534.51079800
10673280

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-33H,5-6,9H2,1-4H3
C29H26O10534.510783900
29771974

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H26O10/c1-35-22-10-9-17(11-24(22)38-15-26(34)37-3)18(12-25(33)36-2)27-19(30)13-20(31)28-21(32)14-23(39-29(27)28)16-7-5-4-6-8-16/h4-11,13-14,18,30-31H,12,15H2,1-3H3
C29H26O10534.51078700
30716980

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H26O10/c1-3-4-10-37-28-15(6-5-7-20(28)36-2)16-12-22(33)38-21-13-19(32)24-25(34)26(35)27(39-29(24)23(16)21)14-8-9-17(30)18(31)11-14/h5-9,11,13,16,30-32,35H,3-4,10,12H2,1-2H3
C29H26O10534.51078700
30717106

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H26O10/c1-14(2)13-38-17-7-4-15(5-8-17)18(11-23(34)37-3)24-21(32)12-22(33)25-26(35)27(36)28(39-29(24)25)16-6-9-19(30)20(31)10-16/h4-10,12,18,30-33,36H,1,11,13H2,2-3H3
C29H26O10534.51078700
30717613

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H26O10/c1-13(2)12-37-21-9-14(5-7-20(21)36-3)16-10-23(33)38-22-11-19(32)25-26(34)27(35)28(39-29(25)24(16)22)15-4-6-17(30)18(31)8-15/h4-9,11,13,16,30-32,35H,10,12H2,1-3H3
C29H26O10534.51077500
44206414

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H26O10/c1-33-19-7-6-14(8-20(19)34-2)17-13-38-29-25-16(15-9-22(35-3)28(37-5)23(10-15)36-4)11-24(31)39-21(25)12-18(30)26(29)27(17)32/h6-10,12-13,16,30H,11H2,1-5H3
C29H26O10534.51077600
44206956

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H26O10/c1-33-19-7-6-14(8-21(19)35-3)17-13-38-29-26-16(15-9-22(36-4)23(37-5)12-20(15)34-2)10-25(31)39-24(26)11-18(30)27(29)28(17)32/h6-9,11-13,16,30H,10H2,1-5H3
C29H26O10534.51077600
44207048

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H26O10/c1-33-19-8-6-14(10-21(19)35-3)17-13-38-29-24-16(15-7-9-20(34-2)28(37-5)27(15)36-4)11-23(31)39-22(24)12-18(30)25(29)26(17)32/h6-10,12-13,16,30H,11H2,1-5H3
C29H26O10534.51077600
2279805

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H26O10/c1-33-22-8-16(9-23(34-2)27(22)39-29(32)36-12-15-6-4-3-5-7-15)24-17-10-20-21(38-14-37-20)11-18(17)26(30)19-13-35-28(31)25(19)24/h3-11,19,24-26,30H,12-14H2,1-2H3/t19-,24+,25-,26+/m0/s1
C29H26O10534.5107399999996700
65302509

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H26O10/c1-33-19-13-21(35-3)20(34-2)10-15(19)11-24-27(31)16-6-7-18-26(29(16)39-24)17(12-25(30)38-18)14-8-22(36-4)28(32)23(9-14)37-5/h6-11,13,17,32H,12H2,1-5H3/b24-11-
C29H26O10534.51075500
65302519

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H26O10/c1-33-19-8-6-14(27(36-4)29(19)37-5)10-22-25(31)16-7-9-18-24(28(16)39-22)17(13-23(30)38-18)15-11-20(34-2)26(32)21(12-15)35-3/h6-12,17,32H,13H2,1-5H3/b22-10-
C29H26O10534.51075500
1388912
InChI=1/C29H26O10/c1-6-36-28(31)17-7-9-19(10-8-17)38-26-16(2)37-22-15-20(11-12-21(22)25(26)30)39-29(32)18-13-23(33-3)27(35-5)24(14-18)34-4/h7-15H,6H2,1-5H3
C29H26O10534.51074200
8896401

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H26O10/c1-33-18-12-21(34-2)25-22(13-18)39-29(17-9-10-19-20(11-17)38-15-37-19)24(16-7-5-4-6-8-16)23(27(31)35-3)26(36-14-30)28(25,29)32/h4-14,23-24,26,32H,15H2,1-3H3/t23-,24-,26-,28+,29+/m1/s1
C29H26O10534.51074300
123

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