sodium; benzenesulfonic acid; dodecane

Systemtic Name: sodium; benzenesulfonic acid; dodecane Openeye Name: sodium; benzenesulfonic acid; dodecane CAS Name: sodium; benzenesulfonic acid; dodecane IUPAC Name: sodium; benzenesulfonic acid; dodecane Traditional Name: sodium; besylic acid; dodecane Formula: C18H31NaO3S MolecularWeight: 350.49171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[CH2-].C1=CC=C(C=C1)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCC[CH2-].C1=CC=C(C=C1)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H25.C6H6O3S.Na/c1-3-5-7-9-11-12-10-8-6-4-2;7-10(8,9)6-4-2-1-3-5-6;/h1,3-12H2,2H3;1-5H,(H,7,8,9);/q-1;;+1