2-ethoxycarbonyl-4-phenyl-cyclohexene-1-sulfonic acid

Systemtic Name: 2-ethoxycarbonyl-4-phenyl-cyclohexene-1-sulfonic acid Openeye Name: 2-ethoxycarbonyl-4-phenyl-cyclohexene-1-sulfonic acid CAS Name: 2-ethoxycarbonyl-4-phenyl-1-cyclohexenesulfonic acid IUPAC Name: 2-ethoxycarbonyl-4-phenylcyclohexene-1-sulfonic acid Traditional Name: 2-carbethoxy-4-phenyl-cyclohexene-1-sulfonic acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCC(C1)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=C(CCC(C1)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C15H18O5S/c1-2-20-15(16)13-10-12(11-6-4-3-5-7-11)8-9-14(13)21(17,18)19/h3-7,12H,2,8-10H2,1H3,(H,17,18,19)