sodium 3-(phenylmethyl)-2-propan-2-yl-naphthalene-1-sulfonate

Systemtic Name: sodium 3-(phenylmethyl)-2-propan-2-yl-naphthalene-1-sulfonate Openeye Name: sodium 3-benzyl-2-isopropyl-naphthalene-1-sulfonate CAS Name: sodium 3-(phenylmethyl)-2-propan-2-yl-1-naphthalenesulfonate IUPAC Name: sodium 3-benzyl-2-propan-2-ylnaphthalene-1-sulfonate Traditional Name: sodium 3-benzyl-2-isopropyl-naphthalene-1-sulfonate Formula: C20H19NaO3S MolecularWeight: 362.41783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=CC=CC=C2C=C1CC3=CC=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C1=C(C2=CC=CC=C2C=C1CC3=CC=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H20O3S.Na/c1-14(2)19-17(12-15-8-4-3-5-9-15)13-16-10-6-7-11-18(16)20(19)24(21,22)23;/h3-11,13-14H,12H2,1-2H3,(H,21,22,23);/q;+1/p-1