butyl prop-2-enoate; methyl 2-methylprop-2-enoate; oxiran-2-ylmethyl 7,7-dimethyloctanoate; prop-2-enoic acid

Systemtic Name: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; oxiran-2-ylmethyl 7,7-dimethyloctanoate; prop-2-enoic acid Openeye Name: acrylic acid; butyl prop-2-enoate; methyl 2-methylprop-2-enoate; oxiran-2-ylmethyl 7,7-dimethyloctanoate CAS Name: 7,7-dimethyloctanoic acid 2-oxiranylmethyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; oxiran-2-ylmethyl 7,7-dimethyloctanoate; prop-2-enoic acid Traditional Name: acrylic acid; acrylic acid butyl ester; 7,7-dimethylcaprylic acid glycidyl ester; 2-methylacrylic acid methyl ester Formula: C28H48O9 MolecularWeight: 528.67532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CC(=C)C(=O)OC.CC(C)(C)CCCCCC(=O)OCC1CO1.C=CC(=O)O

Isomeric SMILES

CCCCOC(=O)C=C.CC(=C)C(=O)OC.CC(C)(C)CCCCCC(=O)OCC1CO1.C=CC(=O)O

InChI

InChI=1S/C13H24O3.C7H12O2.C5H8O2.C3H4O2/c1-13(2,3)8-6-4-5-7-12(14)16-10-11-9-15-11;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3;1-2-3(4)5/h11H,4-10H2,1-3H3;4H,2-3,5-6H2,1H3;1H2,2-3H3;2H,1H2,(H,4,5)