4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoic acid Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoic acid CAS Name: 4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]benzoic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoic acid Traditional Name: 4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14O4S/c17-16(18)12-3-1-11(2-4-12)10-21-13-5-6-14-15(9-13)20-8-7-19-14/h1-6,9H,7-8,10H2,(H,17,18)