2-ethanoyl-3-[4-[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxidanylidene-butyl]phenyl]butanoate

Systemtic Name: 2-ethanoyl-3-[4-[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxidanylidene-butyl]phenyl]butanoate Openeye Name: 2-acetyl-3-[4-[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxo-butyl]phenyl]butanoate CAS Name: 2-acetyl-3-[4-[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutyl]phenyl]butanoate IUPAC Name: 2-acetyl-3-[4-[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutyl]phenyl]butanoate Traditional Name: 2-acetyl-3-[4-(3,3-dicarbethoxy-4-ethoxy-4-keto-butyl)phenyl]butyrate Formula: C24H31O9- MolecularWeight: 463.49754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=C(C=C1)C(C)C(C(=O)C)C(=O)[O-])(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC1=CC=C(C=C1)C(C)C(C(=O)C)C(=O)[O-])(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C24H32O9/c1-6-31-21(28)24(22(29)32-7-2,23(30)33-8-3)14-13-17-9-11-18(12-10-17)15(4)19(16(5)25)20(26)27/h9-12,15,19H,6-8,13-14H2,1-5H3,(H,26,27)/p-1