2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2-sulfo-phenyl]sulfonyl-5-methyl-benzenesulfonic acid

Systemtic Name: 2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2-sulfo-phenyl]sulfonyl-5-methyl-benzenesulfonic acid Openeye Name: 2-[4-[4-[1-(4-methoxyphenyl)-1-methyl-ethyl]phenoxy]-2-sulfo-phenyl]sulfonyl-5-methyl-benzenesulfonic acid CAS Name: 2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2-sulfophenyl]sulfonyl-5-methylbenzenesulfonic acid IUPAC Name: 2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-2-sulfophenyl]sulfonyl-5-methylbenzenesulfonic acid Traditional Name: 2-[4-[4-[1-(4-methoxyphenyl)-1-methyl-ethyl]phenoxy]-2-sulfo-phenyl]sulfonyl-5-methyl-besylic acid Formula: C29H28O10S3 MolecularWeight: 632.72162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C29H28O10S3/c1-19-5-15-25(27(17-19)41(32,33)34)40(30,31)26-16-14-24(18-28(26)42(35,36)37)39-23-12-8-21(9-13-23)29(2,3)20-6-10-22(38-4)11-7-20/h5-18H,1-4H3,(H,32,33,34)(H,35,36,37)