buta-1,3-diene; 1-ethenyl-4-methyl-benzene; 2-ethylhexyl 2-methylprop-2-enoate

Systemtic Name: buta-1,3-diene; 1-ethenyl-4-methyl-benzene; 2-ethylhexyl 2-methylprop-2-enoate Openeye Name: buta-1,3-diene; 2-ethylhexyl 2-methylprop-2-enoate; 1-methyl-4-vinyl-benzene CAS Name: buta-1,3-diene; 1-ethenyl-4-methylbenzene; 2-methyl-2-propenoic acid 2-ethylhexyl ester IUPAC Name: buta-1,3-diene; 1-ethenyl-4-methylbenzene; 2-ethylhexyl 2-methylprop-2-enoate Traditional Name: buta-1,3-diene; 2-methylacrylic acid 2-ethylhexyl ester; 1-methyl-4-vinyl-benzene Formula: C25H38O2 MolecularWeight: 370.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(=C)C.CC1=CC=C(C=C1)C=C.C=CC=C

Isomeric SMILES

CCCCC(CC)COC(=O)C(=C)C.CC1=CC=C(C=C1)C=C.C=CC=C

InChI

InChI=1S/C12H22O2.C9H10.C4H6/c1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-3-9-6-4-8(2)5-7-9;1-3-4-2/h11H,3,5-9H2,1-2,4H3;3-7H,1H2,2H3;3-4H,1-2H2