2-heptoxy-5-sulfo-benzoic acid

Systemtic Name: 2-heptoxy-5-sulfo-benzoic acid Openeye Name: 2-heptoxy-5-sulfo-benzoic acid CAS Name: 2-heptoxy-5-sulfobenzoic acid IUPAC Name: 2-heptoxy-5-sulfobenzoic acid Traditional Name: 2-heptoxy-5-sulfo-benzoic acid Formula: C14H20O6S MolecularWeight: 316.37

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C14H20O6S/c1-2-3-4-5-6-9-20-13-8-7-11(21(17,18)19)10-12(13)14(15)16/h7-8,10H,2-6,9H2,1H3,(H,15,16)(H,17,18,19)