benzene; buta-1,3-diene; 2-ethylhexyl prop-2-enoate

Systemtic Name: benzene; buta-1,3-diene; 2-ethylhexyl prop-2-enoate Openeye Name: benzene; buta-1,3-diene; 2-ethylhexyl prop-2-enoate CAS Name: benzene; buta-1,3-diene; 2-propenoic acid 2-ethylhexyl ester IUPAC Name: benzene; buta-1,3-diene; 2-ethylhexyl prop-2-enoate Traditional Name: acrylic acid 2-ethylhexyl ester; benzene; buta-1,3-diene Formula: C21H32O2 MolecularWeight: 316.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C=C.C=CC=C.C1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)COC(=O)C=C.C=CC=C.C1=CC=CC=C1

InChI

InChI=1S/C11H20O2.C6H6.C4H6/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-2-4-6-5-3-1;1-3-4-2/h6,10H,3-5,7-9H2,1-2H3;1-6H;3-4H,1-2H2