heptadecyl 4-butylbenzoate

Systemtic Name: heptadecyl 4-butylbenzoate Openeye Name: heptadecyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid heptadecyl ester IUPAC Name: heptadecyl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid heptadecyl ester Formula: C28H48O2 MolecularWeight: 416.67952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CCCC

InChI

InChI=1S/C28H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25-30-28(29)27-23-21-26(22-24-27)20-6-4-2/h21-24H,3-20,25H2,1-2H3