2-(4-decoxyphenyl)-5-(4-hexan-2-yloxycarbonylphenoxy)carbonyl-benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCC)C(=O)O

InChI

InChI=1S/C37H46O7/c1-4-6-8-9-10-11-12-13-25-42-31-20-15-28(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)14-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3,(H,38,39)