calcium dinaphthalen-1-ylmethanedisulfonate

Systemtic Name: calcium dinaphthalen-1-ylmethanedisulfonate Openeye Name: calcium bis(1-naphthyl)methanedisulfonate CAS Name: calcium bis(1-naphthalenyl)methanedisulfonate IUPAC Name: calcium dinaphthalen-1-ylmethanedisulfonate Traditional Name: calcium bis(1-naphthyl)methanedisulfonate Formula: C21H14CaO6S2 MolecularWeight: 466.54026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)(S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)(S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]

InChI

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