2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]benzoic acid Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H14O5S/c18-13(10-23-16-4-2-1-3-12(16)17(19)20)11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9H,7-8,10H2,(H,19,20)