4-[4-[(E)-4-oxidanylidene-4-propoxy-3-propoxycarbonyl-but-1-enyl]phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[(E)-4-oxidanylidene-4-propoxy-3-propoxycarbonyl-but-1-enyl]phenyl]carbonyloxybenzoic acid Openeye Name: 4-[4-[(E)-4-oxo-4-propoxy-3-propoxycarbonyl-but-1-enyl]benzoyl]oxybenzoic acid CAS Name: 4-[oxo-[4-[(E)-4-oxo-3-[oxo(propoxy)methyl]-4-propoxybut-1-enyl]phenyl]methoxy]benzoic acid IUPAC Name: 4-[4-[(E)-4-oxo-4-propoxy-3-propoxycarbonylbut-1-enyl]benzoyl]oxybenzoic acid Traditional Name: 4-[4-[(E)-4-keto-4-propoxy-3-propoxycarbonyl-but-1-enyl]benzoyl]oxybenzoic acid Formula: C25H26O8 MolecularWeight: 454.46914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCC

Isomeric SMILES

CCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCC

InChI

InChI=1S/C25H26O8/c1-3-15-31-24(29)21(25(30)32-16-4-2)14-7-17-5-8-19(9-6-17)23(28)33-20-12-10-18(11-13-20)22(26)27/h5-14,21H,3-4,15-16H2,1-2H3,(H,26,27)/b14-7+