sodium 4-propan-2-ylnaphthalene-1-sulfonate

Systemtic Name: sodium 4-propan-2-ylnaphthalene-1-sulfonate Openeye Name: sodium 4-isopropylnaphthalene-1-sulfonate CAS Name: sodium 4-propan-2-yl-1-naphthalenesulfonate IUPAC Name: sodium 4-propan-2-ylnaphthalene-1-sulfonate Traditional Name: sodium 4-isopropylnaphthalene-1-sulfonate Formula: C13H13NaO3S MolecularWeight: 272.29529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H14O3S.Na/c1-9(2)10-7-8-13(17(14,15)16)12-6-4-3-5-11(10)12;/h3-9H,1-2H3,(H,14,15,16);/q;+1/p-1