5-(2-sulfoethyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-sulfoethyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-sulfoethyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(2-sulfoethyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-sulfoethyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-sulfoethyl)isophthalic acid Formula: C10H10O7S MolecularWeight: 274.2472

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)C(=O)O)CCS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)C(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C10H10O7S/c11-9(12)7-3-6(1-2-18(15,16)17)4-8(5-7)10(13)14/h3-5H,1-2H2,(H,11,12)(H,13,14)(H,15,16,17)