2-dodecylbenzenesulfonic acid; ethyl 2-methyl-2-oxidanyl-propanoate; ethyl 2-oxidanylpropanoate

Systemtic Name: 2-dodecylbenzenesulfonic acid; ethyl 2-methyl-2-oxidanyl-propanoate; ethyl 2-oxidanylpropanoate Openeye Name: 2-dodecylbenzenesulfonic acid; ethyl 2-hydroxy-2-methyl-propanoate; ethyl 2-hydroxypropanoate CAS Name: 2-dodecylbenzenesulfonic acid; 2-hydroxy-2-methylpropanoic acid ethyl ester; 2-hydroxypropanoic acid ethyl ester IUPAC Name: 2-dodecylbenzenesulfonic acid; ethyl 2-hydroxy-2-methylpropanoate; ethyl 2-hydroxypropanoate Traditional Name: 2-hydroxy-2-methyl-propionic acid ethyl ester; 2-hydroxypropionic acid ethyl ester; 2-laurylbesylic acid Formula: C29H52O9S MolecularWeight: 576.78278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCOC(=O)C(C)O.CCOC(=O)C(C)(C)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCOC(=O)C(C)O.CCOC(=O)C(C)(C)O

InChI

InChI=1S/C18H30O3S.C6H12O3.C5H10O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-4-9-5(7)6(2,3)8;1-3-8-5(7)4(2)6/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);8H,4H2,1-3H3;4,6H,3H2,1-2H3