4-[(4-hexadecylsulfonylphenyl)iminomethyl]benzoic acid

Systemtic Name: 4-[(4-hexadecylsulfonylphenyl)iminomethyl]benzoic acid Openeye Name: 4-[(4-hexadecylsulfonylphenyl)iminomethyl]benzoic acid CAS Name: 4-[(4-hexadecylsulfonylphenyl)iminomethyl]benzoic acid IUPAC Name: 4-[(4-hexadecylsulfonylphenyl)iminomethyl]benzoic acid Traditional Name: 4-[(4-cetylsulfonylphenyl)iminomethyl]benzoic acid Formula: C30H43NO4S MolecularWeight: 513.73172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C30H43NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-36(34,35)29-22-20-28(21-23-29)31-25-26-16-18-27(19-17-26)30(32)33/h16-23,25H,2-15,24H2,1H3,(H,32,33)