[4-(hydroxymethyl)-1-phenyl-nonyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(hydroxymethyl)-1-phenyl-nonyl] 4-methylbenzenesulfonate Openeye Name: [4-(hydroxymethyl)-1-phenyl-nonyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(hydroxymethyl)-1-phenylnonyl] ester IUPAC Name: [4-(hydroxymethyl)-1-phenylnonyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-methylol-1-phenyl-nonyl) ester Formula: C23H32O4S MolecularWeight: 404.56278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)CO

Isomeric SMILES

CCCCCC(CCC(C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)CO

InChI

InChI=1S/C23H32O4S/c1-3-4-6-9-20(18-24)14-17-23(21-10-7-5-8-11-21)27-28(25,26)22-15-12-19(2)13-16-22/h5,7-8,10-13,15-16,20,23-24H,3-4,6,9,14,17-18H2,1-2H3