dodecyl benzenesulfonate; propan-2-amine

Systemtic Name: dodecyl benzenesulfonate; propan-2-amine Openeye Name: dodecyl benzenesulfonate; propan-2-amine CAS Name: benzenesulfonic acid dodecyl ester; 2-propanamine IUPAC Name: dodecyl benzenesulfonate; propan-2-amine Traditional Name: benzenesulfonic acid lauryl ester; isopropylamine Formula: C21H39NO3S MolecularWeight: 385.60426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.CC(C)N

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.CC(C)N

InChI

InChI=1S/C18H30O3S.C3H9N/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;1-3(2)4/h11-13,15-16H,2-10,14,17H2,1H3;3H,4H2,1-2H3