buta-1,3-diene; (E)-but-2-enedioic acid; ethenylbenzene; methyl 2-methylprop-2-enoate

Systemtic Name: buta-1,3-diene; (E)-but-2-enedioic acid; ethenylbenzene; methyl 2-methylprop-2-enoate Openeye Name: buta-1,3-diene; fumaric acid; methyl 2-methylprop-2-enoate; styrene CAS Name: buta-1,3-diene; (E)-2-butenedioic acid; 2-methyl-2-propenoic acid methyl ester; styrene IUPAC Name: buta-1,3-diene; (E)-but-2-enedioic acid; methyl 2-methylprop-2-enoate; styrene Traditional Name: buta-1,3-diene; fumaric acid; 2-methylacrylic acid methyl ester; styrene Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OC.C=CC=C.C=CC1=CC=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=C)C(=O)OC.C=CC=C.C=CC1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H8.C5H8O2.C4H4O4.C4H6/c1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3;5-3(6)1-2-4(7)8;1-3-4-2/h2-7H,1H2;1H2,2-3H3;1-2H,(H,5,6)(H,7,8);3-4H,1-2H2/b;;2-1+;