4-[2-[(E)-2-(2-heptoxyphenyl)ethenyl]-7-oxidanyl-7-oxidanylidene-heptyl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(2-heptoxyphenyl)ethenyl]-7-oxidanyl-7-oxidanylidene-heptyl]benzoic acid Openeye Name: 4-[2-[(E)-2-(2-heptoxyphenyl)vinyl]-7-hydroxy-7-oxo-heptyl]benzoic acid CAS Name: 4-[2-[(E)-2-(2-heptoxyphenyl)ethenyl]-7-hydroxy-7-oxoheptyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(2-heptoxyphenyl)ethenyl]-7-hydroxy-7-oxoheptyl]benzoic acid Traditional Name: 4-[(E)-4-(2-heptoxyphenyl)-2-(5-hydroxy-5-keto-pentyl)but-3-enyl]benzoic acid Formula: C29H38O5 MolecularWeight: 466.60902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1C=CC(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1/C=C/C(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C29H38O5/c1-2-3-4-5-10-21-34-27-13-8-7-12-25(27)18-15-23(11-6-9-14-28(30)31)22-24-16-19-26(20-17-24)29(32)33/h7-8,12-13,15-20,23H,2-6,9-11,14,21-22H2,1H3,(H,30,31)(H,32,33)/b18-15+