3-(1,3-diphenylbutyl)-5-nonyl-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-(1,3-diphenylbutyl)-5-nonyl-2-oxidanyl-benzenesulfonic acid Openeye Name: 3-(1,3-diphenylbutyl)-2-hydroxy-5-nonyl-benzenesulfonic acid CAS Name: 3-(1,3-diphenylbutyl)-2-hydroxy-5-nonylbenzenesulfonic acid IUPAC Name: 3-(1,3-diphenylbutyl)-2-hydroxy-5-nonylbenzenesulfonic acid Traditional Name: 3-(1,3-diphenylbutyl)-2-hydroxy-5-nonyl-besylic acid Formula: C31H40O4S MolecularWeight: 508.7119

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)O)C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)O)C(CC(C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C31H40O4S/c1-3-4-5-6-7-8-11-16-25-22-29(31(32)30(23-25)36(33,34)35)28(27-19-14-10-15-20-27)21-24(2)26-17-12-9-13-18-26/h9-10,12-15,17-20,22-24,28,32H,3-8,11,16,21H2,1-2H3,(H,33,34,35)