4-(2-heptoxyphenyl)-3-undecan-4-yloxy-benzoic acid

Systemtic Name: 4-(2-heptoxyphenyl)-3-undecan-4-yloxy-benzoic acid Openeye Name: 4-(2-heptoxyphenyl)-3-(1-propyloctoxy)benzoic acid CAS Name: 4-(2-heptoxyphenyl)-3-undecan-4-yloxybenzoic acid IUPAC Name: 4-(2-heptoxyphenyl)-3-undecan-4-yloxybenzoic acid Traditional Name: 4-(2-heptoxyphenyl)-3-(1-propyloctoxy)benzoic acid Formula: C31H46O4 MolecularWeight: 482.69454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCC)OC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2OCCCCCCC

Isomeric SMILES

CCCCCCCC(CCC)OC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2OCCCCCCC

InChI

InChI=1S/C31H46O4/c1-4-7-9-11-13-18-26(17-6-3)35-30-24-25(31(32)33)21-22-28(30)27-19-14-15-20-29(27)34-23-16-12-10-8-5-2/h14-15,19-22,24,26H,4-13,16-18,23H2,1-3H3,(H,32,33)