2-[(E,2S)-5-ethoxy-3-methyl-5-oxidanylidene-pent-3-en-2-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(E,2S)-5-ethoxy-3-methyl-5-oxidanylidene-pent-3-en-2-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(E,1S)-4-ethoxy-1,2-dimethyl-4-oxo-but-2-enoxy]carbonylbenzoic acid CAS Name: 2-[[(E,2S)-5-ethoxy-3-methyl-5-oxopent-3-en-2-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[(E,2S)-5-ethoxy-3-methyl-5-oxopent-3-en-2-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(E,1S)-4-ethoxy-4-keto-1,2-dimethyl-but-2-enoxy]carbonylbenzoic acid Formula: C16H18O6 MolecularWeight: 306.31052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C(C)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/[C@H](C)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H18O6/c1-4-21-14(17)9-10(2)11(3)22-16(20)13-8-6-5-7-12(13)15(18)19/h5-9,11H,4H2,1-3H3,(H,18,19)/b10-9+/t11-/m0/s1