5-[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]carbonyloxy-2-(4-pentylphenyl)carbonyloxy-benzoic acid

Systemtic Name: 5-[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]carbonyloxy-2-(4-pentylphenyl)carbonyloxy-benzoic acid Openeye Name: 5-[4-[(E)-3-methoxy-3-oxo-prop-1-enyl]benzoyl]oxy-2-(4-pentylbenzoyl)oxy-benzoic acid CAS Name: 5-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]-oxomethoxy]-2-[oxo-(4-pentylphenyl)methoxy]benzoic acid IUPAC Name: 5-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoyl]oxy-2-(4-pentylbenzoyl)oxybenzoic acid Traditional Name: 2-(4-amylbenzoyl)oxy-5-[4-[(E)-3-keto-3-methoxy-prop-1-enyl]benzoyl]oxy-benzoic acid Formula: C30H28O8 MolecularWeight: 516.53852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)C=CC(=O)OC)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)/C=C/C(=O)OC)C(=O)O

InChI

InChI=1S/C30H28O8/c1-3-4-5-6-20-7-12-23(13-8-20)30(35)38-26-17-16-24(19-25(26)28(32)33)37-29(34)22-14-9-21(10-15-22)11-18-27(31)36-2/h7-19H,3-6H2,1-2H3,(H,32,33)/b18-11+