2-phenoxathiin-2-ylcarbonylbenzoic acid

Systemtic Name: 2-phenoxathiin-2-ylcarbonylbenzoic acid Openeye Name: 2-(phenoxathiine-2-carbonyl)benzoic acid CAS Name: 2-[oxo(2-phenoxathiinyl)methyl]benzoic acid IUPAC Name: 2-(phenoxathiine-2-carbonyl)benzoic acid Traditional Name: 2-(phenoxathiine-2-carbonyl)benzoic acid Formula: C20H12O4S MolecularWeight: 348.37188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C20H12O4S/c21-19(13-5-1-2-6-14(13)20(22)23)12-9-10-16-18(11-12)25-17-8-4-3-7-15(17)24-16/h1-11H,(H,22,23)