2-(1-ethoxycarbonyl-9-oxidanylidene-thioxanthen-3-yl)sulfanylbenzoic acid

Systemtic Name: 2-(1-ethoxycarbonyl-9-oxidanylidene-thioxanthen-3-yl)sulfanylbenzoic acid Openeye Name: 2-(1-ethoxycarbonyl-9-oxo-thioxanthen-3-yl)sulfanylbenzoic acid CAS Name: 2-[(1-ethoxycarbonyl-9-oxo-3-thioxanthenyl)thio]benzoic acid IUPAC Name: 2-(1-ethoxycarbonyl-9-oxothioxanthen-3-yl)sulfanylbenzoic acid Traditional Name: 2-[(1-carbethoxy-9-keto-thioxanthen-3-yl)thio]benzoic acid Formula: C23H16O5S2 MolecularWeight: 436.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H16O5S2/c1-2-28-23(27)16-11-13(29-18-10-6-4-8-15(18)22(25)26)12-19-20(16)21(24)14-7-3-5-9-17(14)30-19/h3-12H,2H2,1H3,(H,25,26)