butyl prop-2-enoate; 6-methylheptyl prop-2-enoate; prop-2-enoic acid

Systemtic Name: butyl prop-2-enoate; 6-methylheptyl prop-2-enoate; prop-2-enoic acid Openeye Name: acrylic acid; butyl prop-2-enoate; 6-methylheptyl prop-2-enoate CAS Name: 2-propenoic acid; 2-propenoic acid butyl ester; 2-propenoic acid 6-methylheptyl ester IUPAC Name: butyl prop-2-enoate; 6-methylheptyl prop-2-enoate; prop-2-enoic acid Traditional Name: acrylic acid; acrylic acid butyl ester; acrylic acid 6-methylheptyl ester Formula: C21H36O6 MolecularWeight: 384.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CC(C)CCCCCOC(=O)C=C.C=CC(=O)O

Isomeric SMILES

CCCCOC(=O)C=C.CC(C)CCCCCOC(=O)C=C.C=CC(=O)O

InChI

InChI=1S/C11H20O2.C7H12O2.C3H4O2/c1-4-11(12)13-9-7-5-6-8-10(2)3;1-3-5-6-9-7(8)4-2;1-2-3(4)5/h4,10H,1,5-9H2,2-3H3;4H,2-3,5-6H2,1H3;2H,1H2,(H,4,5)