dodecane-1-thiol; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enoic acid

Systemtic Name: dodecane-1-thiol; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enoic acid Openeye Name: acrylic acid; dodecane-1-thiol; 2-methylenebutanoic acid; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid CAS Name: 1-dodecanethiol; 2-methylenebutanoic acid; 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid IUPAC Name: dodecane-1-thiol; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enoic acid Traditional Name: acrylic acid; dodecane-1-thiol; 2-ethylacrylic acid; methacrylic acid; 2-methylacrylic acid methyl ester Formula: C29H52O8S MolecularWeight: 560.78338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS.CCC(=C)C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)OC.C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCS.CCC(=C)C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)OC.C=CC(=O)O

InChI

InChI=1S/C12H26S.2C5H8O2.C4H6O2.C3H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-4(2)5(6)7-3;1-3-4(2)5(6)7;1-3(2)4(5)6;1-2-3(4)5/h13H,2-12H2,1H3;1H2,2-3H3;2-3H2,1H3,(H,6,7);1H2,2H3,(H,5,6);2H,1H2,(H,4,5)