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

Systemtic Name: 4-[4-[4-(4-hydroxyphenyl)-6-phenyl-octan-2-yl]phenoxy]butane-1-sulfonic acid Openeye Name: 4-[4-[3-(4-hydroxyphenyl)-1-methyl-5-phenyl-heptyl]phenoxy]butane-1-sulfonic acid CAS Name: 4-[4-[4-(4-hydroxyphenyl)-6-phenyloctan-2-yl]phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[4-[4-(4-hydroxyphenyl)-6-phenyloctan-2-yl]phenoxy]butane-1-sulfonic acid Traditional Name: 4-[4-[3-(4-hydroxyphenyl)-1-methyl-5-phenyl-heptyl]phenoxy]butane-1-sulfonic acid Formula: C30H38O5S MolecularWeight: 510.68472

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C30H38O5S/c1-3-24(26-9-5-4-6-10-26)22-28(27-11-15-29(31)16-12-27)21-23(2)25-13-17-30(18-14-25)35-19-7-8-20-36(32,33)34/h4-6,9-18,23-24,28,31H,3,7-8,19-22H2,1-2H3,(H,32,33,34)