4-[4-[(E)-4-decoxy-3-decoxycarbonyl-4-oxidanylidene-but-1-enyl]phenoxy]carbonylbenzoic acid

Systemtic Name: 4-[4-[(E)-4-decoxy-3-decoxycarbonyl-4-oxidanylidene-but-1-enyl]phenoxy]carbonylbenzoic acid Openeye Name: 4-[4-[(E)-4-decoxy-3-decoxycarbonyl-4-oxo-but-1-enyl]phenoxy]carbonylbenzoic acid CAS Name: 4-[[4-[(E)-4-decoxy-3-[decoxy(oxo)methyl]-4-oxobut-1-enyl]phenoxy]-oxomethyl]benzoic acid IUPAC Name: 4-[4-[(E)-4-decoxy-3-decoxycarbonyl-4-oxobut-1-enyl]phenoxy]carbonylbenzoic acid Traditional Name: 4-[4-[(E)-4-decoxy-3-decoxycarbonyl-4-keto-but-1-enyl]phenoxy]carbonylbenzoic acid Formula: C39H54O8 MolecularWeight: 650.84126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(C=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC(=O)C(/C=C/C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)OCCCCCCCCCC

InChI

InChI=1S/C39H54O8/c1-3-5-7-9-11-13-15-17-29-45-38(43)35(39(44)46-30-18-16-14-12-10-8-6-4-2)28-21-31-19-26-34(27-20-31)47-37(42)33-24-22-32(23-25-33)36(40)41/h19-28,35H,3-18,29-30H2,1-2H3,(H,40,41)/b28-21+