5-[(4-ethylsulfanyl-4-methyl-3-oxidanylidene-2-phenylsulfanyl-pentanoyl)amino]benzene-1,3-dicarboxylic acid; N-octadecylmethanamide

Systemtic Name: 5-[(4-ethylsulfanyl-4-methyl-3-oxidanylidene-2-phenylsulfanyl-pentanoyl)amino]benzene-1,3-dicarboxylic acid; N-octadecylmethanamide Openeye Name: 5-[(4-ethylsulfanyl-4-methyl-3-oxo-2-phenylsulfanyl-pentanoyl)amino]benzene-1,3-dicarboxylic acid; N-octadecylformamide CAS Name: 5-[[4-(ethylthio)-4-methyl-1,3-dioxo-2-(phenylthio)pentyl]amino]benzene-1,3-dicarboxylic acid; N-octadecylformamide IUPAC Name: 5-[(4-ethylsulfanyl-4-methyl-3-oxo-2-phenylsulfanylpentanoyl)amino]benzene-1,3-dicarboxylic acid; N-octadecylformamide Traditional Name: 5-[[4-(ethylthio)-3-keto-4-methyl-2-(phenylthio)pentanoyl]amino]isophthalic acid; N-stearylformamide Formula: C41H62N2O7S2 MolecularWeight: 759.07018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC=O.CCSC(C)(C)C(=O)C(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC=O.CCSC(C)(C)C(=O)C(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C22H23NO6S2.C19H39NO/c1-4-30-22(2,3)18(24)17(31-16-8-6-5-7-9-16)19(25)23-15-11-13(20(26)27)10-14(12-15)21(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h5-12,17H,4H2,1-3H3,(H,23,25)(H,26,27)(H,28,29);19H,2-18H2,1H3,(H,20,21)