ethenylbenzene; 2-methylbuta-1,3-diene; 2-methylidenehexanoate

Systemtic Name: ethenylbenzene; 2-methylbuta-1,3-diene; 2-methylidenehexanoate Openeye Name: isoprene; 2-methylenehexanoate; styrene CAS Name: 2-methylbuta-1,3-diene; 2-methylenehexanoate; styrene IUPAC Name: 2-methylbuta-1,3-diene; 2-methylidenehexanoate; styrene Traditional Name: 2-butylacrylate; isoprene; styrene Formula: C20H27O2- MolecularWeight: 299.42718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=O)[O-].CC(=C)C=C.C=CC1=CC=CC=C1

Isomeric SMILES

CCCCC(=C)C(=O)[O-].CC(=C)C=C.C=CC1=CC=CC=C1

InChI

InChI=1S/C8H8.C7H12O2.C5H8/c1-2-8-6-4-3-5-7-8;1-3-4-5-6(2)7(8)9;1-4-5(2)3/h2-7H,1H2;2-5H2,1H3,(H,8,9);4H,1-2H2,3H3/p-1