[(4-dodecylphenyl)amino] 4-methylbenzenesulfinate

Systemtic Name: [(4-dodecylphenyl)amino] 4-methylbenzenesulfinate Openeye Name: (4-dodecylanilino) 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid (4-dodecylanilino) ester IUPAC Name: (4-dodecylanilino) 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid (4-laurylanilino) ester Formula: C25H37NO2S MolecularWeight: 415.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)NOS(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)NOS(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H37NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-23-16-18-24(19-17-23)26-28-29(27)25-20-14-22(2)15-21-25/h14-21,26H,3-13H2,1-2H3