5-(4-octan-2-yloxycarbonylphenoxy)carbonyl-2-(4-octoxyphenyl)benzoic acid

Systemtic Name: 5-(4-octan-2-yloxycarbonylphenoxy)carbonyl-2-(4-octoxyphenyl)benzoic acid Openeye Name: 5-[4-(1-methylheptoxycarbonyl)phenoxy]carbonyl-2-(4-octoxyphenyl)benzoic acid CAS Name: 5-[[4-[octan-2-yloxy(oxo)methyl]phenoxy]-oxomethyl]-2-(4-octoxyphenyl)benzoic acid IUPAC Name: 5-(4-octan-2-yloxycarbonylphenoxy)carbonyl-2-(4-octoxyphenyl)benzoic acid Traditional Name: 5-[4-(1-methylheptoxycarbonyl)phenoxy]carbonyl-2-(4-octoxyphenyl)benzoic acid Formula: C37H46O7 MolecularWeight: 602.75694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC)C(=O)O

InChI

InChI=1S/C37H46O7/c1-4-6-8-10-11-13-25-42-31-20-15-28(16-21-31)33-24-19-30(26-34(33)35(38)39)37(41)44-32-22-17-29(18-23-32)36(40)43-27(3)14-12-9-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3,(H,38,39)