2-oxidanyl-4-[3-(4-pentadecylphenyl)sulfonylpropoxy]benzoic acid

Systemtic Name: 2-oxidanyl-4-[3-(4-pentadecylphenyl)sulfonylpropoxy]benzoic acid Openeye Name: 2-hydroxy-4-[3-(4-pentadecylphenyl)sulfonylpropoxy]benzoic acid CAS Name: 2-hydroxy-4-[3-(4-pentadecylphenyl)sulfonylpropoxy]benzoic acid IUPAC Name: 2-hydroxy-4-[3-(4-pentadecylphenyl)sulfonylpropoxy]benzoic acid Traditional Name: 2-hydroxy-4-[3-(4-pentadecylphenyl)sulfonylpropoxy]benzoic acid Formula: C31H46O6S MolecularWeight: 546.75834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC(=C(C=C2)C(=O)O)O

InChI

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