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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
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Isotopically Labeled
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Found 120 results

Search term: C27H40O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445515

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1
C27H40O2396.6053535400
8030319

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+
C27H40O2396.6053191700
2290270

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H40O2/c1-4-5-6-7-8-9-10-14-17-25(28)22-29-26-20-18-24(19-21-26)27(2,3)23-15-12-11-13-16-23/h11-13,15-16,18-21,25,28H,4-10,14,17,22H2,1-3H3
C27H40O2396.605300000001141300
2362249

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H40O2/c1-3-4-5-6-21-7-9-22(10-8-21)23-11-13-24(14-12-23)25(28)29-27-18-15-26(2,16-19-27)17-20-27/h11-14,21-22H,3-10,15-20H2,1-2H3
C27H40O2396.60530000000112700
2542626
InChI=1/C27H40O2/c1-5-7-9-11-13-22-15-20(3)17-24(26(22)28)19-25-18-21(4)16-23(27(25)29)14-12-10-8-6-2/h15-18,28-29H,5-14,19H2,1-4H3
C27H40O2396.605312600
171960
InChI=1/C27H40O2/c1-16(2)18-11-20(24(28)22(14-18)26(5,6)7)13-21-12-19(17(3)4)15-23(25(21)29)27(8,9)10/h11-12,14-17,28-29H,13H2,1-10H3
C27H40O2396.6053121200
1681938

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H40O2/c1-2-3-4-6-9-22-12-14-23(15-13-22)25(28)29-27-19-16-26(17-20-27,18-21-27)24-10-7-5-8-11-24/h5,7-8,10-11,22-23H,2-4,6,9,12-21H2,1H3
C27H40O2396.605311700
10470958

Double-bond stereo
InChI=1/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+
C27H40O2396.6053101100
21165559
InChI=1/C27H40O2/c1-11-18-13-22(26(5,6)7)24(28)20(16(18)3)15-21-17(4)19(12-2)14-23(25(21)29)27(8,9)10/h13-14,28-29H,11-12,15H2,1-10H3
C27H40O2396.6053101000
7826637

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1
C27H40O2396.60538900
19979784

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H40O2/c1-16(2)7-6-8-17(3)20-11-12-21-19-10-9-18-15-23(28)24-25(29-24)27(18,5)22(19)13-14-26(20,21)4/h9-10,15-17,19-22,24-25H,6-8,11-14H2,1-5H3/t17-,19+,20-,21+,22+,24+,25+,26-,27+/m1/s1
C27H40O2396.60538700
9157375

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H40O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1
C27H40O2396.60538700
2029590

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H40O2/c1-25-14-11-21(28)18-20(25)8-9-22-23(25)12-15-26(2)24(22)13-17-27(26,29)16-10-19-6-4-3-5-7-19/h3-7,20-24,28-29H,8-18H2,1-2H3
C27H40O2396.6053000000018700
299122

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
C27H40O2396.60537701
510420

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3
C27H40O2396.60537700
9958941

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,8-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
C27H40O2396.60537600
9969739

Double-bond stereo
InChI=1/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)24(6)18-27(25)29/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+
C27H40O2396.60536500
8447574
InChI=1/C27H40O2/c1-10-17-13-20(24(28)22(15-17)26(4,5)6)19(12-3)21-14-18(11-2)16-23(25(21)29)27(7,8)9/h13-16,19,28-29H,10-12H2,1-9H3
C27H40O2396.60536400
4943529

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h6,8,16-18,20-22,28H,7,9-15H2,1-5H3/b8-6+/t18-,20+,21-,22+,26+,27-/m1/s1
C27H40O2396.60536600
20143895

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h6,8,16-18,20-22,28H,7,9-15H2,1-5H3/b8-6+/t18-,20?,21-,22+,26+,27-/m1/s1
C27H40O2396.60535500
12345

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