calcium 2-[(1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate

Systemtic Name: calcium 2-[(1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate Openeye Name: calcium 2-[(1-sulfonato-2-naphthyl)methyl]naphthalene-1-sulfonate CAS Name: calcium 2-[(1-sulfonato-2-naphthalenyl)methyl]-1-naphthalenesulfonate IUPAC Name: calcium 2-[(1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate Traditional Name: calcium 2-[(1-sulfonato-2-naphthyl)methyl]naphthalene-1-sulfonate Formula: C21H14CaO6S2 MolecularWeight: 466.54026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C21H16O6S2.Ca/c22-28(23,24)20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)29(25,26)27;/h1-12H,13H2,(H,22,23,24)(H,25,26,27);/q;+2/p-2