calcium dinaphthalen-1-ylmethanesulfonate

Systemtic Name: calcium dinaphthalen-1-ylmethanesulfonate Openeye Name: calcium bis(1-naphthyl)methanesulfonate CAS Name: calcium bis(1-naphthalenyl)methanesulfonate IUPAC Name: calcium dinaphthalen-1-ylmethanesulfonate Traditional Name: calcium bis(1-naphthyl)methanesulfonate Formula: C42H30CaO6S2 MolecularWeight: 734.892

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

InChI

InChI=1S/2C21H16O3S.Ca/c2*22-25(23,24)21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20;/h2*1-14,21H,(H,22,23,24);/q;;+2/p-2