but-3-enoic acid; butyl prop-2-enoate; chloranylethene; 2-ethylhexyl prop-2-enoate; prop-2-enoic acid

Systemtic Name: but-3-enoic acid; butyl prop-2-enoate; chloranylethene; 2-ethylhexyl prop-2-enoate; prop-2-enoic acid Openeye Name: acrylic acid; but-3-enoic acid; butyl prop-2-enoate; chloroethylene; 2-ethylhexyl prop-2-enoate CAS Name: 3-butenoic acid; chloroethene; 2-propenoic acid; 2-propenoic acid butyl ester; 2-propenoic acid 2-ethylhexyl ester IUPAC Name: but-3-enoic acid; butyl prop-2-enoate; chloroethene; 2-ethylhexyl prop-2-enoate; prop-2-enoic acid Traditional Name: acrylic acid; acrylic acid butyl ester; acrylic acid 2-ethylhexyl ester; but-3-enoic acid; chloroethylene Formula: C27H45ClO8 MolecularWeight: 533.0944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C=C.CCCCOC(=O)C=C.C=CCC(=O)O.C=CC(=O)O.C=CCl

Isomeric SMILES

CCCCC(CC)COC(=O)C=C.CCCCOC(=O)C=C.C=CCC(=O)O.C=CC(=O)O.C=CCl

InChI

InChI=1S/C11H20O2.C7H12O2.C4H6O2.C3H4O2.C2H3Cl/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-9-7(8)4-2;1-2-3-4(5)6;1-2-3(4)5;1-2-3/h6,10H,3-5,7-9H2,1-2H3;4H,2-3,5-6H2,1H3;2H,1,3H2,(H,5,6);2H,1H2,(H,4,5);2H,1H2