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

Systemtic Name: 6-methylheptyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid Openeye Name: acrylic acid; 6-methylheptyl prop-2-enoate; prop-2-enenitrile CAS Name: 2-propenenitrile; 2-propenoic acid; 2-propenoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid Traditional Name: acrylic acid; acrylic acid 6-methylheptyl ester; acrylonitrile Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C=C.C=CC#N.C=CC(=O)O

Isomeric SMILES

CC(C)CCCCCOC(=O)C=C.C=CC#N.C=CC(=O)O

InChI

InChI=1S/C11H20O2.C3H3N.C3H4O2/c1-4-11(12)13-9-7-5-6-8-10(2)3;1-2-3-4;1-2-3(4)5/h4,10H,1,5-9H2,2-3H3;2H,1H2;2H,1H2,(H,4,5)