4-[4-[(E)-4-oxidanylidene-4-pentoxy-3-pentoxycarbonyl-but-1-enyl]phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[(E)-4-oxidanylidene-4-pentoxy-3-pentoxycarbonyl-but-1-enyl]phenyl]carbonyloxybenzoic acid Openeye Name: 4-[4-[(E)-4-oxo-4-pentoxy-3-pentoxycarbonyl-but-1-enyl]benzoyl]oxybenzoic acid CAS Name: 4-[oxo-[4-[(E)-4-oxo-3-[oxo(pentoxy)methyl]-4-pentoxybut-1-enyl]phenyl]methoxy]benzoic acid IUPAC Name: 4-[4-[(E)-4-oxo-4-pentoxy-3-pentoxycarbonylbut-1-enyl]benzoyl]oxybenzoic acid Traditional Name: 4-[4-[(E)-4-amoxy-3-amoxycarbonyl-4-keto-but-1-enyl]benzoyl]oxybenzoic acid Formula: C29H34O8 MolecularWeight: 510.57546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCC

InChI

InChI=1S/C29H34O8/c1-3-5-7-19-35-28(33)25(29(34)36-20-8-6-4-2)18-11-21-9-12-23(13-10-21)27(32)37-24-16-14-22(15-17-24)26(30)31/h9-18,25H,3-8,19-20H2,1-2H3,(H,30,31)/b18-11+