1-(4-carboxyphenyl)-N-(2-methyl-1-octylsulfanyl-propan-2-yl)methanimine oxide

Systemtic Name: 1-(4-carboxyphenyl)-N-(2-methyl-1-octylsulfanyl-propan-2-yl)methanimine oxide Openeye Name: 1-(4-carboxyphenyl)-N-(1,1-dimethyl-2-octylsulfanyl-ethyl)methanimine oxide CAS Name: 1-(4-carboxyphenyl)-N-[2-methyl-1-(octylthio)propan-2-yl]methanimine oxide IUPAC Name: 1-(4-carboxyphenyl)-N-(2-methyl-1-octylsulfanylpropan-2-yl)methanimine oxide Traditional Name: 1-(4-carboxyphenyl)-N-[1,1-dimethyl-2-(octylthio)ethyl]methanimine oxide Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(C)(C)[N+](=CC1=CC=C(C=C1)C(=O)O)[O-]

Isomeric SMILES

CCCCCCCCSCC(C)(C)/[N+](=C/C1=CC=C(C=C1)C(=O)O)/[O-]

InChI

InChI=1S/C20H31NO3S/c1-4-5-6-7-8-9-14-25-16-20(2,3)21(24)15-17-10-12-18(13-11-17)19(22)23/h10-13,15H,4-9,14,16H2,1-3H3,(H,22,23)/b21-15-