phenyl 2-[4-(2-methylbutoxy)butyl]-4-octoxy-benzoate

Systemtic Name: phenyl 2-[4-(2-methylbutoxy)butyl]-4-octoxy-benzoate Openeye Name: phenyl 2-[4-(2-methylbutoxy)butyl]-4-octoxy-benzoate CAS Name: 2-[4-(2-methylbutoxy)butyl]-4-octoxybenzoic acid phenyl ester IUPAC Name: phenyl 2-[4-(2-methylbutoxy)butyl]-4-octoxybenzoate Traditional Name: 2-[4-(2-methylbutoxy)butyl]-4-octoxy-benzoic acid phenyl ester Formula: C30H44O4 MolecularWeight: 468.66796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)CCCCOCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)CCCCOCC(C)CC

InChI

InChI=1S/C30H44O4/c1-4-6-7-8-9-14-22-33-28-19-20-29(30(31)34-27-17-11-10-12-18-27)26(23-28)16-13-15-21-32-24-25(3)5-2/h10-12,17-20,23,25H,4-9,13-16,21-22,24H2,1-3H3