sodium; 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate; (4-methoxy-2-oxidanyl-phenyl)-phenyl-methanone

Systemtic Name: sodium; 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate; (4-methoxy-2-oxidanyl-phenyl)-phenyl-methanone Openeye Name: sodium; 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonate; (2-hydroxy-4-methoxy-phenyl)-phenyl-methanone CAS Name: sodium; 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; (2-hydroxy-4-methoxyphenyl)-phenylmethanone IUPAC Name: sodium; 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; (2-hydroxy-4-methoxyphenyl)-phenylmethanone Traditional Name: sodium; 5-benzoyl-4-hydroxy-2-methoxy-besylate; (2-hydroxy-4-methoxy-phenyl)-phenyl-methanone Formula: C28H23NaO9S MolecularWeight: 558.53159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O.COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O.COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H12O6S.C14H12O3.Na/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9;1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;/h2-8,15H,1H3,(H,17,18,19);2-9,15H,1H3;/q;;+1/p-1