4-[4-(4-phenylhexan-2-yl)phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[4-(4-phenylhexan-2-yl)phenoxy]butane-1-sulfonic acid Openeye Name: 4-[4-(1-methyl-3-phenyl-pentyl)phenoxy]butane-1-sulfonic acid CAS Name: 4-[4-(4-phenylhexan-2-yl)phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[4-(4-phenylhexan-2-yl)phenoxy]butane-1-sulfonic acid Traditional Name: 4-[4-(1-methyl-3-phenyl-pentyl)phenoxy]butane-1-sulfonic acid Formula: C22H30O4S MolecularWeight: 390.5362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4S/c1-3-19(21-9-5-4-6-10-21)17-18(2)20-11-13-22(14-12-20)26-15-7-8-16-27(23,24)25/h4-6,9-14,18-19H,3,7-8,15-17H2,1-2H3,(H,23,24,25)