buta-1,3-diene; dimethyl 2-methylidenebutanedioate; ethenylbenzene; prop-2-enenitrile

Systemtic Name: buta-1,3-diene; dimethyl 2-methylidenebutanedioate; ethenylbenzene; prop-2-enenitrile Openeye Name: buta-1,3-diene; dimethyl 2-methylenebutanedioate; prop-2-enenitrile; styrene CAS Name: buta-1,3-diene; 2-methylenebutanedioic acid dimethyl ester; 2-propenenitrile; styrene IUPAC Name: buta-1,3-diene; dimethyl 2-methylidenebutanedioate; prop-2-enenitrile; styrene Traditional Name: acrylonitrile; buta-1,3-diene; 2-methylenesuccinic acid dimethyl ester; styrene Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8.C7H10O4.C4H6.C3H3N/c1-2-8-6-4-3-5-7-8;1-5(7(9)11-3)4-6(8)10-2;1-3-4-2;1-2-3-4/h2-7H,1H2;1,4H2,2-3H3;3-4H,1-2H2;2H,1H2