4-[(E)-3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[(1S,2S)-2-carbethoxycyclopropyl]-3-keto-prop-1-enyl]benzoic acid Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1C(=O)C=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1C(=O)/C=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16O5/c1-2-21-16(20)13-9-12(13)14(17)8-5-10-3-6-11(7-4-10)15(18)19/h3-8,12-13H,2,9H2,1H3,(H,18,19)/b8-5+/t12-,13-/m0/s1