butyl prop-2-enoate; ethenylbenzene; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enenitrile

Systemtic Name: butyl prop-2-enoate; ethenylbenzene; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enenitrile Openeye Name: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enenitrile; styrene CAS Name: 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid methyl ester; 2-propenenitrile; 2-propenoic acid butyl ester; styrene IUPAC Name: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enenitrile; styrene Traditional Name: acrylic acid butyl ester; acrylonitrile; methacrylic acid; 2-methylacrylic acid methyl ester; styrene Formula: C27H37NO6 MolecularWeight: 471.58578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CC(=C)C(=O)O.CC(=C)C(=O)OC.C=CC#N.C=CC1=CC=CC=C1

Isomeric SMILES

CCCCOC(=O)C=C.CC(=C)C(=O)O.CC(=C)C(=O)OC.C=CC#N.C=CC1=CC=CC=C1

InChI

InChI=1S/C8H8.C7H12O2.C5H8O2.C4H6O2.C3H3N/c1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3;1-3(2)4(5)6;1-2-3-4/h2-7H,1H2;4H,2-3,5-6H2,1H3;1H2,2-3H3;1H2,2H3,(H,5,6);2H,1H2