4-[4-[4-(4-hydroxyphenyl)-6-(4-methylphenyl)octan-2-yl]phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[4-[4-(4-hydroxyphenyl)-6-(4-methylphenyl)octan-2-yl]phenoxy]butane-1-sulfonic acid Openeye Name: 4-[4-[3-(4-hydroxyphenyl)-1-methyl-5-(p-tolyl)heptyl]phenoxy]butane-1-sulfonic acid CAS Name: 4-[4-[4-(4-hydroxyphenyl)-6-(4-methylphenyl)octan-2-yl]phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[4-[4-(4-hydroxyphenyl)-6-(4-methylphenyl)octan-2-yl]phenoxy]butane-1-sulfonic acid Traditional Name: 4-[4-[3-(4-hydroxyphenyl)-1-methyl-5-(p-tolyl)heptyl]phenoxy]butane-1-sulfonic acid Formula: C31H40O5S MolecularWeight: 524.7113

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(CC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H40O5S/c1-4-25(27-9-7-23(2)8-10-27)22-29(28-11-15-30(32)16-12-28)21-24(3)26-13-17-31(18-14-26)36-19-5-6-20-37(33,34)35/h7-18,24-25,29,32H,4-6,19-22H2,1-3H3,(H,33,34,35)