4-ethoxy-3-methoxycarbonyl-6-oxidanylidene-5-pentyl-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 4-ethoxy-3-methoxycarbonyl-6-oxidanylidene-5-pentyl-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 4-ethoxy-3-methoxycarbonyl-6-oxo-5-pentyl-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 4-ethoxy-3-methoxycarbonyl-6-oxo-5-pentyl-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 4-ethoxy-3-methoxycarbonyl-6-oxo-5-pentylcyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 5-amyl-3-carbomethoxy-4-ethoxy-6-keto-cyclohexa-1,3-diene-1-sulfonic acid Formula: C15H22O7S MolecularWeight: 346.39598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C(C=C(C1=O)S(=O)(=O)O)C(=O)OC)OCC

Isomeric SMILES

CCCCCC1C(=C(C=C(C1=O)S(=O)(=O)O)C(=O)OC)OCC

InChI

InChI=1S/C15H22O7S/c1-4-6-7-8-10-13(16)12(23(18,19)20)9-11(15(17)21-3)14(10)22-5-2/h9-10H,4-8H2,1-3H3,(H,18,19,20)