4-[2-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]ethoxy]-2-propan-2-yl-benzenesulfinate

Systemtic Name: 4-[2-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]ethoxy]-2-propan-2-yl-benzenesulfinate Openeye Name: 4-[2-[(4-hydroxy-4-oxo-butyl)amino]-2-oxo-ethoxy]-2-isopropyl-benzenesulfinate CAS Name: 4-[2-[(4-hydroxy-4-oxobutyl)amino]-2-oxoethoxy]-2-propan-2-ylbenzenesulfinate IUPAC Name: 4-[2-[(4-hydroxy-4-oxobutyl)amino]-2-oxoethoxy]-2-propan-2-ylbenzenesulfinate Traditional Name: 4-[2-[(4-hydroxy-4-keto-butyl)amino]-2-keto-ethoxy]-2-isopropyl-benzenesulfinate Formula: C15H20NO6S- MolecularWeight: 342.3874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OCC(=O)NCCCC(=O)O)S(=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OCC(=O)NCCCC(=O)O)S(=O)[O-]

InChI

InChI=1S/C15H21NO6S/c1-10(2)12-8-11(5-6-13(12)23(20)21)22-9-14(17)16-7-3-4-15(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/p-1