3-(5-propoxy-2-sulfo-phenyl)propanoic acid

Systemtic Name: 3-(5-propoxy-2-sulfo-phenyl)propanoic acid Openeye Name: 3-(5-propoxy-2-sulfo-phenyl)propanoic acid CAS Name: 3-(5-propoxy-2-sulfophenyl)propanoic acid IUPAC Name: 3-(5-propoxy-2-sulfophenyl)propanoic acid Traditional Name: 3-(5-propoxy-2-sulfo-phenyl)propionic acid Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)O)CCC(=O)O

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)O)CCC(=O)O

InChI

InChI=1S/C12H16O6S/c1-2-7-18-10-4-5-11(19(15,16)17)9(8-10)3-6-12(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)(H,15,16,17)