sodium 4-[4-[4-(4-hydroxyphenyl)-6-phenyl-octan-2-yl]phenoxy]butane-1-sulfonate

Systemtic Name: sodium 4-[4-[4-(4-hydroxyphenyl)-6-phenyl-octan-2-yl]phenoxy]butane-1-sulfonate Openeye Name: sodium 4-[4-[3-(4-hydroxyphenyl)-1-methyl-5-phenyl-heptyl]phenoxy]butane-1-sulfonate CAS Name: sodium 4-[4-[4-(4-hydroxyphenyl)-6-phenyloctan-2-yl]phenoxy]-1-butanesulfonate IUPAC Name: sodium 4-[4-[4-(4-hydroxyphenyl)-6-phenyloctan-2-yl]phenoxy]butane-1-sulfonate Traditional Name: sodium 4-[4-[3-(4-hydroxyphenyl)-1-methyl-5-phenyl-heptyl]phenoxy]butane-1-sulfonate Formula: C30H37NaO5S MolecularWeight: 532.66655

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C30H38O5S.Na/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);/q;+1/p-1