disodium (3-oxidanyl-6-oxidanylidene-thioxanthen-9-yl) benzenesulfonate dihydrate

Systemtic Name: disodium (3-oxidanyl-6-oxidanylidene-thioxanthen-9-yl) benzenesulfonate dihydrate Openeye Name: disodium (3-hydroxy-6-oxo-thioxanthen-9-yl) benzenesulfonate dihydrate CAS Name: disodium benzenesulfonic acid (3-hydroxy-6-oxo-9-thioxanthenyl) ester dihydrate IUPAC Name: disodium (3-hydroxy-6-oxothioxanthen-9-yl) benzenesulfonate dihydrate Traditional Name: disodium benzenesulfonic acid (3-hydroxy-6-keto-thioxanthen-9-yl) ester dihydrate Formula: C19H16Na2O7S2+2 MolecularWeight: 466.43568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=O)C=C3SC4=C2C=CC(=C4)O.O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=O)C=C3SC4=C2C=CC(=C4)O.O.O.[Na+].[Na+]

InChI

InChI=1S/C19H12O5S2.2Na.2H2O/c20-12-6-8-15-17(10-12)25-18-11-13(21)7-9-16(18)19(15)24-26(22,23)14-4-2-1-3-5-14;;;;/h1-11,20H;;;2*1H2/q;2*+1;;