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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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Found 119 results

Search term: C25H40O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4519583

Double-bond stereo
InChI=1/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3/b10-9-
C25H40O2372.5839192100
4532587

Double-bond stereo
InChI=1/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-25(26)22-21-24-19-16-15-17-20-24/h15-17,19-22H,2-14,18,23H2,1H3/b22-21+
C25H40O2372.5839151200
2029664

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C25H40O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h9-10,17-22H,5-8,11-16H2,1-4H3
C25H40O2372.5839000000018600
8123302

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H40O2/c1-20(13-14-24-21(2)9-7-16-25(24,3)4)8-5-10-22(18-26)11-6-12-23-15-17-27-19-23/h8-9,15,17,19,22,24,26H,5-7,10-14,16,18H2,1-4H3/b20-8+
C25H40O2372.58397600
4980917

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,16,18-23,26-27H,1,7-14H2,2-5H3/b17-6-/t16-,18+,19-,20-,21+,22-,23-,24-,25+/m0/s1
C25H40O2372.58396500
308665

Double-bond stereo
InChI=1/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-25(26)22-21-24-19-16-15-17-20-24/h15-17,19-22H,2-14,18,23H2,1H3
C25H40O2372.58395300
3577097

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C25H40O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h14,16-22H,5-13,15H2,1-4H3
C25H40O2372.5839000000015300
9351322

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H40O2/c1-23-14-15-25(27,17-6-4-3-5-7-17)16-18(23)8-9-19-20-10-11-22(26)24(20,2)13-12-21(19)23/h17-21,27H,3-16H2,1-2H3/t18?,19-,20-,21-,23-,24-,25+/m0/s1
C25H40O2372.58395400
28590931

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H40O2/c1-3-5-6-7-8-9-13-19-24(26)27-25(23-17-11-10-12-18-23)20-14-16-22(21-25)15-4-2/h10-12,17-18,22H,3-9,13-16,19-21H2,1-2H3
C25H40O2372.58395500
30777140
InChI=1/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(26)22-25(27)23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3
C25H40O2372.58394400
30777377

Double-bond stereo
InChI=1/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h6-7,9-10,20-22,26-27H,2-5,8,11-19H2,1H3/b7-6+,10-9+
C25H40O2372.58394400
9968353

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H40O2/c1-5-6-12-25(27)15-14-23(3)18(16-25)7-8-19-21-10-9-20(17(2)26)24(21,4)13-11-22(19)23/h5,18-22,27H,1,6-16H2,2-4H3/t18-,19-,20+,21-,22-,23-,24+,25+/m0/s1
C25H40O2372.58394300
9968354

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H40O2/c1-18(2)9-7-14-24(5)16-13-21-20(4)10-8-15-25(21,6)22(24)12-11-19(3)17-23(26)27/h9,17,21-22H,4,7-8,10-16H2,1-3,5-6H3,(H,26,27)/b19-17+/t21-,22-,24+,25+/m1/s1
C25H40O2372.58394300
8266239

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H40O2/c1-18(2)9-7-14-24(5)15-8-16-25(6)21(20(4)11-13-22(24)25)12-10-19(3)17-23(26)27/h9,11,17,21-22H,7-8,10,12-16H2,1-6H3,(H,26,27)/b19-17+/t21-,22-,24-,25+/m0/s1
C25H40O2372.58394300
8746748

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)23-20-18-21-24-26/h25-27H,2-8,11-17,19,22,24H2,1H3/t25-/m0/s1
C25H40O2372.58394300
8960848

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)23-20-18-21-24-26/h25-27H,2-8,11-17,19,22,24H2,1H3/t25-/m1/s1
C25H40O2372.58394500
9286651

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H40O2/c1-18(10-8-11-20(3)23(26)27-7)12-14-21-19(2)13-15-22-24(4,5)16-9-17-25(21,22)6/h8,10-11,20,22H,9,12-17H2,1-7H3/b11-8+,18-10+/t20-,22+,25-/m1/s1
C25H40O2372.58394300
4439617

Double-bond stereo
InChI=1/C25H40O2/c1-20(2)11-8-13-22(5)15-10-16-24(7)19-25(26)27-18-17-23(6)14-9-12-21(3)4/h11-12,15,17,19H,8-10,13-14,16,18H2,1-7H3/b22-15+,23-17+,24-19+
C25H40O2372.5839000000014400
4526898

Double-bond stereo
InChI=1/C25H40O2/c1-3-5-7-9-11-13-15-24(26)19-16-23-17-20-25(21-18-23)27-22-14-12-10-8-6-4-2/h16-21H,3-15,22H2,1-2H3/b19-16+
C25H40O2372.58394500
4957860
InChI=1/C16H30O2.C9H10/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-3-9-7-5-4-6-8(9)2/h2,4-14H2,1,3H3;3-7H,1H2,2H3
C25H40O2372.58394400
12345

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