butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; 2-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]-6-sulfo-benzoic acid

Systemtic Name: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; 2-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]-6-sulfo-benzoic acid Openeye Name: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-[1-methyl-2-(2-methylprop-2-enoyloxy)ethoxy]carbonyl-6-sulfo-benzoic acid; 2-methylprop-2-enoic acid CAS Name: 2-[1-(2-methyl-1-oxoprop-2-enoxy)propan-2-yloxy-oxomethyl]-6-sulfobenzoic acid; 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; 2-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]-6-sulfobenzoic acid Traditional Name: acrylic acid butyl ester; methacrylic acid; 2-(2-methacryloyloxy-1-methyl-ethoxy)carbonyl-6-sulfo-benzoic acid; 2-methylacrylic acid methyl ester Formula: C38H54O17S MolecularWeight: 814.89016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CCCCOC(=O)C=C.CC(COC(=O)C(=C)C)OC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)OC

Isomeric SMILES

CCCCOC(=O)C=C.CCCCOC(=O)C=C.CC(COC(=O)C(=C)C)OC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)OC

InChI

InChI=1S/C15H16O9S.2C7H12O2.C5H8O2.C4H6O2/c1-8(2)14(18)23-7-9(3)24-15(19)10-5-4-6-11(25(20,21)22)12(10)13(16)17;2*1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3;1-3(2)4(5)6/h4-6,9H,1,7H2,2-3H3,(H,16,17)(H,20,21,22);2*4H,2-3,5-6H2,1H3;1H2,2-3H3;1H2,2H3,(H,5,6)