1-ethenyl-4-methyl-benzene; 2-ethylhexyl prop-2-enoate; 2-methylpropyl 2-methylprop-2-enoate

Systemtic Name: 1-ethenyl-4-methyl-benzene; 2-ethylhexyl prop-2-enoate; 2-methylpropyl 2-methylprop-2-enoate Openeye Name: 2-ethylhexyl prop-2-enoate; isobutyl 2-methylprop-2-enoate; 1-methyl-4-vinyl-benzene CAS Name: 1-ethenyl-4-methylbenzene; 2-methyl-2-propenoic acid 2-methylpropyl ester; 2-propenoic acid 2-ethylhexyl ester IUPAC Name: 1-ethenyl-4-methylbenzene; 2-ethylhexyl prop-2-enoate; 2-methylpropyl 2-methylprop-2-enoate Traditional Name: acrylic acid 2-ethylhexyl ester; 2-methylacrylic acid isobutyl ester; 1-methyl-4-vinyl-benzene Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C=C.CC1=CC=C(C=C1)C=C.CC(C)COC(=O)C(=C)C

Isomeric SMILES

CCCCC(CC)COC(=O)C=C.CC1=CC=C(C=C1)C=C.CC(C)COC(=O)C(=C)C

InChI

InChI=1S/C11H20O2.C9H10.C8H14O2/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-9-6-4-8(2)5-7-9;1-6(2)5-10-8(9)7(3)4/h6,10H,3-5,7-9H2,1-2H3;3-7H,1H2,2H3;6H,3,5H2,1-2,4H3