calcium; methanal; naphthalene-1-sulfonate

Systemtic Name: calcium; methanal; naphthalene-1-sulfonate Openeye Name: calcium; formaldehyde; naphthalene-1-sulfonate CAS Name: calcium; formaldehyde; 1-naphthalenesulfonate IUPAC Name: calcium; formaldehyde; naphthalene-1-sulfonate Traditional Name: calcium; formaldehyde; naphthalene-1-sulfonate Formula: C21H16CaO7S2 MolecularWeight: 484.55554

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C=O.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H8O3S.CH2O.Ca/c2*11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2;/h2*1-7H,(H,11,12,13);1H2;/q;;;+2/p-2