4-[4-(3-pentan-2-yloxypropoxy)phenyl]benzoic acid

Systemtic Name: 4-[4-(3-pentan-2-yloxypropoxy)phenyl]benzoic acid Openeye Name: 4-[4-[3-(1-methylbutoxy)propoxy]phenyl]benzoic acid CAS Name: 4-[4-(3-pentan-2-yloxypropoxy)phenyl]benzoic acid IUPAC Name: 4-[4-(3-pentan-2-yloxypropoxy)phenyl]benzoic acid Traditional Name: 4-[4-[3-(1-methylbutoxy)propoxy]phenyl]benzoic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC(C)OCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H26O4/c1-3-5-16(2)24-14-4-15-25-20-12-10-18(11-13-20)17-6-8-19(9-7-17)21(22)23/h6-13,16H,3-5,14-15H2,1-2H3,(H,22,23)