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

Systemtic Name: 3-methyl-4-oxidanylidene-2-[1-(4-sulfophenyl)propyl]pentanoic acid Openeye Name: 3-methyl-4-oxo-2-[1-(4-sulfophenyl)propyl]pentanoic acid CAS Name: 3-methyl-4-oxo-2-[1-(4-sulfophenyl)propyl]pentanoic acid IUPAC Name: 3-methyl-4-oxo-2-[1-(4-sulfophenyl)propyl]pentanoic acid Traditional Name: 4-keto-3-methyl-2-[1-(4-sulfophenyl)propyl]valeric acid Formula: C15H20O6S MolecularWeight: 328.3807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O6S/c1-4-13(14(15(17)18)9(2)10(3)16)11-5-7-12(8-6-11)22(19,20)21/h5-9,13-14H,4H2,1-3H3,(H,17,18)(H,19,20,21)