5-pentoxy-2-sulfo-benzoic acid

Systemtic Name: 5-pentoxy-2-sulfo-benzoic acid Openeye Name: 5-pentoxy-2-sulfo-benzoic acid CAS Name: 5-pentoxy-2-sulfobenzoic acid IUPAC Name: 5-pentoxy-2-sulfobenzoic acid Traditional Name: 5-amoxy-2-sulfo-benzoic acid Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C12H16O6S/c1-2-3-4-7-18-9-5-6-11(19(15,16)17)10(8-9)12(13)14/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,15,16,17)