2-carboxy-3-[3-(2-methylbutyl)-4-(4-octoxyphenyl)phenyl]benzoate

Systemtic Name: 2-carboxy-3-[3-(2-methylbutyl)-4-(4-octoxyphenyl)phenyl]benzoate Openeye Name: 2-carboxy-3-[3-(2-methylbutyl)-4-(4-octoxyphenyl)phenyl]benzoate CAS Name: 2-carboxy-3-[3-(2-methylbutyl)-4-(4-octoxyphenyl)phenyl]benzoate IUPAC Name: 2-carboxy-3-[3-(2-methylbutyl)-4-(4-octoxyphenyl)phenyl]benzoate Traditional Name: 2-carboxy-3-[3-(2-methylbutyl)-4-(4-octoxyphenyl)phenyl]benzoate Formula: C33H39O5- MolecularWeight: 515.65976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=C(C(=CC=C3)C(=O)[O-])C(=O)O)CC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=C(C(=CC=C3)C(=O)[O-])C(=O)O)CC(C)CC

InChI

InChI=1S/C33H40O5/c1-4-6-7-8-9-10-20-38-27-17-14-24(15-18-27)28-19-16-25(22-26(28)21-23(3)5-2)29-12-11-13-30(32(34)35)31(29)33(36)37/h11-19,22-23H,4-10,20-21H2,1-3H3,(H,34,35)(H,36,37)/p-1