4-[7-oxidanyl-7-oxidanylidene-2-[4-(4-propoxyphenyl)butyl]heptyl]benzoic acid

Systemtic Name: 4-[7-oxidanyl-7-oxidanylidene-2-[4-(4-propoxyphenyl)butyl]heptyl]benzoic acid Openeye Name: 4-[7-hydroxy-7-oxo-2-[4-(4-propoxyphenyl)butyl]heptyl]benzoic acid CAS Name: 4-[7-hydroxy-7-oxo-2-[4-(4-propoxyphenyl)butyl]heptyl]benzoic acid IUPAC Name: 4-[7-hydroxy-7-oxo-2-[4-(4-propoxyphenyl)butyl]heptyl]benzoic acid Traditional Name: 4-[7-hydroxy-7-keto-2-[4-(4-propoxyphenyl)butyl]heptyl]benzoic acid Formula: C27H36O5 MolecularWeight: 440.57174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CCCCC(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CCCCC(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C27H36O5/c1-2-19-32-25-17-13-21(14-18-25)7-3-4-8-22(9-5-6-10-26(28)29)20-23-11-15-24(16-12-23)27(30)31/h11-18,22H,2-10,19-20H2,1H3,(H,28,29)(H,30,31)