4-[4-[(E)-4-nonoxy-3-nonoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[(E)-4-nonoxy-3-nonoxycarbonyl-4-oxidanylidene-but-1-enyl]phenyl]carbonyloxybenzoic acid Openeye Name: 4-[4-[(E)-4-nonoxy-3-nonoxycarbonyl-4-oxo-but-1-enyl]benzoyl]oxybenzoic acid CAS Name: 4-[[4-[(E)-4-nonoxy-3-[nonoxy(oxo)methyl]-4-oxobut-1-enyl]phenyl]-oxomethoxy]benzoic acid IUPAC Name: 4-[4-[(E)-4-nonoxy-3-nonoxycarbonyl-4-oxobut-1-enyl]benzoyl]oxybenzoic acid Traditional Name: 4-[4-[(E)-4-keto-4-nonoxy-3-nonoxycarbonyl-but-1-enyl]benzoyl]oxybenzoic acid Formula: C37H50O8 MolecularWeight: 622.7881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C(C=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCC

InChI

InChI=1S/C37H50O8/c1-3-5-7-9-11-13-15-27-43-36(41)33(37(42)44-28-16-14-12-10-8-6-4-2)26-19-29-17-20-31(21-18-29)35(40)45-32-24-22-30(23-25-32)34(38)39/h17-26,33H,3-16,27-28H2,1-2H3,(H,38,39)/b26-19+