4-(4-heptoxyphenyl)-3-(6-oxidanylhexyl)benzoic acid

Systemtic Name: 4-(4-heptoxyphenyl)-3-(6-oxidanylhexyl)benzoic acid Openeye Name: 4-(4-heptoxyphenyl)-3-(6-hydroxyhexyl)benzoic acid CAS Name: 4-(4-heptoxyphenyl)-3-(6-hydroxyhexyl)benzoic acid IUPAC Name: 4-(4-heptoxyphenyl)-3-(6-hydroxyhexyl)benzoic acid Traditional Name: 4-(4-heptoxyphenyl)-3-(6-hydroxyhexyl)benzoic acid Formula: C26H36O4 MolecularWeight: 412.56164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)CCCCCCO

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)CCCCCCO

InChI

InChI=1S/C26H36O4/c1-2-3-4-7-10-19-30-24-15-12-21(13-16-24)25-17-14-23(26(28)29)20-22(25)11-8-5-6-9-18-27/h12-17,20,27H,2-11,18-19H2,1H3,(H,28,29)