2-dodecylbenzenesulfonate; phenyl-(phenylazaniumyl)sulfanyl-azanium

Systemtic Name: 2-dodecylbenzenesulfonate; phenyl-(phenylazaniumyl)sulfanyl-azanium Openeye Name: 2-dodecylbenzenesulfonate; phenyl-(phenylammonio)sulfanyl-ammonium CAS Name: 2-dodecylbenzenesulfonate; phenyl-[(phenylammonio)thio]ammonium IUPAC Name: 2-dodecylbenzenesulfonate; phenyl-(phenylazaniumyl)sulfanylazanium Traditional Name: 2-laurylbesylate; phenyl-[(phenylammonio)thio]ammonium Formula: C48H72N2O6S3 MolecularWeight: 869.29008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)[NH2+]S[NH2+]C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)[NH2+]S[NH2+]C2=CC=CC=C2

InChI

InChI=1S/2C18H30O3S.C12H12N2S/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1-10,13-14H