octadecyl 2-methylprop-2-enoate; prop-2-enylbenzene

Systemtic Name: octadecyl 2-methylprop-2-enoate; prop-2-enylbenzene Openeye Name: allylbenzene; octadecyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid octadecyl ester; prop-2-enylbenzene IUPAC Name: octadecyl 2-methylprop-2-enoate; prop-2-enylbenzene Traditional Name: allylbenzene; 2-methylacrylic acid stearyl ester Formula: C31H52O2 MolecularWeight: 456.74338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.C=CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.C=CCC1=CC=CC=C1

InChI

InChI=1S/C22H42O2.C9H10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-2-6-9-7-4-3-5-8-9/h2,4-20H2,1,3H3;2-5,7-8H,1,6H2