butyl prop-2-enoate; prop-2-enoic acid; prop-1-en-2-ylbenzene

Systemtic Name: butyl prop-2-enoate; prop-2-enoic acid; prop-1-en-2-ylbenzene Openeye Name: acrylic acid; butyl prop-2-enoate; isopropenylbenzene CAS Name: 1-methylethenylbenzene; 2-propenoic acid; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; prop-2-enoic acid; prop-1-en-2-ylbenzene Traditional Name: acrylic acid; acrylic acid butyl ester; isopropenylbenzene Formula: C19H26O4 MolecularWeight: 318.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CC(=C)C1=CC=CC=C1.C=CC(=O)O

Isomeric SMILES

CCCCOC(=O)C=C.CC(=C)C1=CC=CC=C1.C=CC(=O)O

InChI

InChI=1S/C9H10.C7H12O2.C3H4O2/c1-8(2)9-6-4-3-5-7-9;1-3-5-6-9-7(8)4-2;1-2-3(4)5/h3-7H,1H2,2H3;4H,2-3,5-6H2,1H3;2H,1H2,(H,4,5)