5-Benzyl-8,8-dimethylnon-6-ene-1-sulfonic acid;5-[2-(4-tert-butylphenyl)ethenyl]-7-methyloctane-1-sulfonic acid;8,8-dimethyl-5-phenylnon-6-ene-1-sulfonic acid;5-[(4-fluorophenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid;5-[(4-methoxyphenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid（CAS番号：9014-74-8）

CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)C(C)(C)C.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C21H34O3S.2C19H30O4S.2C18H27FO3S.2C18H28O3S.C17H26O3S/c1-17(2)16-19(8-6-7-15-25(22,23)24)10-9-18-11-13-20(14-12-18)21(3,4)5;2*1-19(2,3)13-12-16(7-5-6-14-24(20,21)22)15-17-8-10-18(23-4)11-9-17;2*1-18(2,3)12-11-15(6-4-5-13-23(20,21)22)14-16-7-9-17(19)10-8-16;2*1-18(2,3)13-12-17(11-7-8-14-22(19,20)21)15-16-9-5-4-6-10-16;1-17(2,3)13-12-16(15-9-5-4-6-10-15)11-7-8-14-21(18,19)20/h9-14,17,19H,6-8,15-16H2,1-5H3,(H,22,23,24);2*8-13,16H,5-7,14-15H2,1-4H3,(H,20,21,22);2*7-12,15H,4-6,13-14H2,1-3H3,(H,20,21,22);2*4-6,9-10,12-13,17H,7-8,11,14-15H2,1-3H3,(H,19,20,21);4-6,9-10,12-13,16H,7-8,11,14H2,1-3H3,(H,18,19,20)

InChIKey

VRASXGTWKFQRNS-UHFFFAOYSA-N

LogP

37.4779

トポロジカル極性表面積

453.42 Ų

水素結合ドナー/アクセプター

8 / 26

複雑度

2230