2-methyl-3-[1-(4-sulfophenyl)propyl]butanedioic acid

Systemtic Name: 2-methyl-3-[1-(4-sulfophenyl)propyl]butanedioic acid Openeye Name: 2-methyl-3-[1-(4-sulfophenyl)propyl]butanedioic acid CAS Name: 2-methyl-3-[1-(4-sulfophenyl)propyl]butanedioic acid IUPAC Name: 2-methyl-3-[1-(4-sulfophenyl)propyl]butanedioic acid Traditional Name: 2-methyl-3-[1-(4-sulfophenyl)propyl]succinic acid Formula: C14H18O7S MolecularWeight: 330.35352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O7S/c1-3-11(12(14(17)18)8(2)13(15)16)9-4-6-10(7-5-9)22(19,20)21/h4-8,11-12H,3H2,1-2H3,(H,15,16)(H,17,18)(H,19,20,21)