sodium; (4Z)-2-chloranyl-4-[(3-chloranyl-4-oxidanyl-phenyl)-phenyl-methylidene]cyclohexa-2,5-dien-1-one; methanesulfonate

Systemtic Name: sodium; (4Z)-2-chloranyl-4-[(3-chloranyl-4-oxidanyl-phenyl)-phenyl-methylidene]cyclohexa-2,5-dien-1-one; methanesulfonate Openeye Name: sodium; (4Z)-2-chloro-4-[(3-chloro-4-hydroxy-phenyl)-phenyl-methylene]cyclohexa-2,5-dien-1-one; methanesulfonate CAS Name: sodium; (4Z)-2-chloro-4-[(3-chloro-4-hydroxyphenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienone; methanesulfonate IUPAC Name: sodium; (4Z)-2-chloro-4-[(3-chloro-4-hydroxyphenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-one; methanesulfonate Traditional Name: sodium (4Z)-2-chloro-4-[(3-chloro-4-hydroxy-phenyl)-phenyl-methylene]cyclohexa-2,5-dien-1-one mesylate Formula: C20H15Cl2NaO5S MolecularWeight: 461.29087

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=C2C=CC(=O)C(=C2)Cl)C3=CC(=C(C=C3)O)Cl.[Na+]

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)/C(=C/2\C=CC(=O)C(=C2)Cl)/C3=CC(=C(C=C3)O)Cl.[Na+]

InChI

InChI=1S/C19H12Cl2O2.CH4O3S.Na/c20-15-10-13(6-8-17(15)22)19(12-4-2-1-3-5-12)14-7-9-18(23)16(21)11-14;1-5(2,3)4;/h1-11,22H;1H3,(H,2,3,4);/q;;+1/p-1/b19-14-;;