4-(2-sulfanylethoxycarbonyl)phthalic acid

Systemtic Name: 4-(2-sulfanylethoxycarbonyl)phthalic acid Openeye Name: 4-(2-sulfanylethoxycarbonyl)phthalic acid CAS Name: 4-[2-mercaptoethoxy(oxo)methyl]phthalic acid IUPAC Name: 4-(2-sulfanylethoxycarbonyl)phthalic acid Traditional Name: 4-(2-mercaptoethoxycarbonyl)phthalic acid Formula: C11H10O6S MolecularWeight: 270.2585

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCCS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCCS)C(=O)O)C(=O)O

InChI

InChI=1S/C11H10O6S/c12-9(13)7-2-1-6(5-8(7)10(14)15)11(16)17-3-4-18/h1-2,5,18H,3-4H2,(H,12,13)(H,14,15)