sodium 2-[(1-sulfonaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid

Systemtic Name: sodium 2-[(1-sulfonaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid Openeye Name: sodium 2-[(1-sulfo-2-naphthyl)methyl]naphthalene-1-sulfonic acid CAS Name: sodium 2-[(1-sulfo-2-naphthalenyl)methyl]-1-naphthalenesulfonic acid IUPAC Name: sodium 2-[(1-sulfonaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid Traditional Name: sodium 2-[(1-sulfo-2-naphthyl)methyl]naphthalene-1-sulfonic acid Formula: C21H16NaO6S2+ MolecularWeight: 451.46791

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C21H16O6S2.Na/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;+1