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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 93 results

Search term: C29H44O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8069

InChI=1/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
C29H44O2424.65851121114130
4445512

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
C29H44O2424.6585606600
76128
InChI=1/C29H44O2/c1-26(2,3)20-14-18(24(30)22(16-20)28(7,8)9)13-19-15-21(27(4,5)6)17-23(25(19)31)29(10,11)12/h14-17,30-31H,13H2,1-12H3
C29H44O2424.6585474412
5021019

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+
C29H44O2424.65852324234
1461329
InChI=1/C29H44O2/c1-26(2,3)20-16-19(24(30)23(17-20)29(10,11)12)13-18-14-21(27(4,5)6)25(31)22(15-18)28(7,8)9/h14-17,30-31H,13H2,1-12H3
C29H44O2424.6585181200
83205

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3
C29H44O2424.6585161400
99150
InChI=1/C29H44O2/c1-26(2,3)18-28(7,8)22-11-13-24(30)20(16-22)15-21-17-23(12-14-25(21)31)29(9,10)19-27(4,5)6/h11-14,16-17,30-31H,15,18-19H2,1-10H3
C29H44O2424.6585111600
152657

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H44O2/c1-11-18(3)20-13-22(26(30)24(16-20)28(5,6)7)15-23-14-21(19(4)12-2)17-25(27(23)31)29(8,9)10/h13-14,16-19,30-31H,11-12,15H2,1-10H3
C29H44O2424.658581000
552866

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H44O2/c1-19(8-7-9-20(2)30)21-12-14-27(6)23-11-10-22-25(3,4)24(31)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h7,9,19,21-23H,8,10-18H2,1-6H3/b9-7+/t19-,21-,22+,23+,26-,27+,28-,29+/m1/s1
C29H44O2424.65858711
559133

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/t29-/m1/s1
C29H44O2424.65856700
2287242

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H44O2/c1-9-28(7,22-14-16-24(3)4)30-27(21-20-26-18-12-11-13-19-26)31-29(8,10-2)23-15-17-25(5)6/h9-13,16-19,27H,1-2,14-15,20-23H2,3-8H3
C29H44O2424.6584600000016600
8677864

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h7,16,18-19,22-25H,8-15,17H2,1-6H3/b20-7+/t19-,22+,23-,24+,25+,28-,29-/m1/s1
C29H44O2424.65856500
26376474

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H44O2/c1-17(2)18(3)8-9-19(4)22-12-13-24-21-10-11-23-20(5)25(30)14-15-28(23,6)27(21)26(31)16-29(22,24)7/h17,19-20,22-24H,3,8-16H2,1-2,4-7H3/t19-,20+,22-,23+,24+,28+,29-/m1/s1
C29H44O2424.65856600
9639260

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m0/s1
C29H44O2424.65855300
161958
InChI=1/C29H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29(30)31-25-26-22-23-27-19-17-18-20-28(27)24-26/h17-20,22-24H,2-16,21,25H2,1H3
C29H44O2424.65855600
549151

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H44O2/c1-18(2)19(3)7-8-20(4)27-13-14-28-26-11-9-22-17-23(31-21(5)30)10-12-24(22)25(26)15-16-29(27,28)6/h9,11,18-20,23,27-28H,7-8,10,12-17H2,1-6H3
C29H44O2424.65855800
24618034

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H44O2/c1-17(21-14-19(21)3)6-7-18(2)23-8-9-24-22-16-27(31)26-15-20(30)10-12-29(26,5)25(22)11-13-28(23,24)4/h15,17-19,21-25H,6-14,16H2,1-5H3/t17-,18-,19-,21+,22+,23-,24+,25+,28-,29-/m1/s1
C29H44O2424.65854400
8178076

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29(4)22-20-26-23-27(30)24(2)25(3)28(26)31-29/h9-10,12-13,15-16,23,30H,5-8,11,14,17-22H2,1-4H3/b10-9-,13-12-,16-15-
C29H44O2424.65854300
8495639

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-29(7)19-17-26-20-27(30-8)24(5)25(6)28(26)31-29/h12,14,16,20H,9-11,13,15,17-19H2,1-8H3/b22-14+,23-16+
C29H44O2424.65854300
8630470

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25H,7,10-15,17H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1
C29H44O2424.65854300
12345

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