4-tert-butylbenzoate; prop-2-enyl octadecanoate

Systemtic Name: 4-tert-butylbenzoate; prop-2-enyl octadecanoate Openeye Name: allyl octadecanoate; 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoate; octadecanoic acid prop-2-enyl ester IUPAC Name: 4-tert-butylbenzoate; prop-2-enyl octadecanoate Traditional Name: 4-tert-butylbenzoate; stearic acid allyl ester Formula: C32H53O4- MolecularWeight: 501.76082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC=C.CC(C)(C)C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC=C.CC(C)(C)C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C21H40O2.C11H14O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2;1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4H,2-3,5-20H2,1H3;4-7H,1-3H3,(H,12,13)/p-1