2-[(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)amino]-2-methyl-propane-1-sulfonic acid

Systemtic Name: 2-[(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)amino]-2-methyl-propane-1-sulfonic acid Openeye Name: 2-[(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxo-pentanoyl)amino]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[(5-butoxy-2-ethyl-2,4,4-trimethyl-1,5-dioxopentyl)amino]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl)amino]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[(5-butoxy-2-ethyl-5-keto-2,4,4-trimethyl-pentanoyl)amino]-2-methyl-propane-1-sulfonic acid Formula: C18H35NO6S MolecularWeight: 393.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)(C)CC(C)(CC)C(=O)NC(C)(C)CS(=O)(=O)O

Isomeric SMILES

CCCCOC(=O)C(C)(C)CC(C)(CC)C(=O)NC(C)(C)CS(=O)(=O)O

InChI

InChI=1S/C18H35NO6S/c1-8-10-11-25-15(21)16(3,4)12-18(7,9-2)14(20)19-17(5,6)13-26(22,23)24/h8-13H2,1-7H3,(H,19,20)(H,22,23,24)