2-ethoxycarbonylcycloheptene-1-sulfonic acid

Systemtic Name: 2-ethoxycarbonylcycloheptene-1-sulfonic acid Openeye Name: 2-ethoxycarbonylcycloheptene-1-sulfonic acid CAS Name: 2-ethoxycarbonyl-1-cycloheptenesulfonic acid IUPAC Name: 2-ethoxycarbonylcycloheptene-1-sulfonic acid Traditional Name: 2-carbethoxycycloheptene-1-sulfonic acid Formula: C10H16O5S MolecularWeight: 248.29604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCCCC1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=C(CCCCC1)S(=O)(=O)O

InChI

InChI=1S/C10H16O5S/c1-2-15-10(11)8-6-4-3-5-7-9(8)16(12,13)14/h2-7H2,1H3,(H,12,13,14)