2-octadecoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid

Systemtic Name: 2-octadecoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-4-hydroxy-2-octadecoxy-benzenesulfonic acid CAS Name: 5-benzoyl-4-hydroxy-2-octadecoxybenzenesulfonic acid IUPAC Name: 5-benzoyl-4-hydroxy-2-octadecoxybenzenesulfonic acid Traditional Name: 5-benzoyl-4-hydroxy-2-stearyloxy-besylic acid Formula: C31H46O6S MolecularWeight: 546.75834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C31H46O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-37-29-25-28(32)27(24-30(29)38(34,35)36)31(33)26-21-18-17-19-22-26/h17-19,21-22,24-25,32H,2-16,20,23H2,1H3,(H,34,35,36)