2-[4-(carboxymethyl)-2,5-bis(oxidanyl)-3-sulfo-phenyl]ethanoic acid

Systemtic Name: 2-[4-(carboxymethyl)-2,5-bis(oxidanyl)-3-sulfo-phenyl]ethanoic acid Openeye Name: 2-[4-(carboxymethyl)-2,5-dihydroxy-3-sulfo-phenyl]acetic acid CAS Name: 2-[4-(carboxymethyl)-2,5-dihydroxy-3-sulfophenyl]acetic acid IUPAC Name: 2-[4-(carboxymethyl)-2,5-dihydroxy-3-sulfophenyl]acetic acid Traditional Name: 2-[4-(carboxymethyl)-2,5-dihydroxy-3-sulfo-phenyl]acetic acid Formula: C10H10O9S MolecularWeight: 306.246

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1O)CC(=O)O)S(=O)(=O)O)O)CC(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1O)CC(=O)O)S(=O)(=O)O)O)CC(=O)O

InChI

InChI=1S/C10H10O9S/c11-6-1-4(2-7(12)13)9(16)10(20(17,18)19)5(6)3-8(14)15/h1,11,16H,2-3H2,(H,12,13)(H,14,15)(H,17,18,19)