N-[4-(phenylsulfinimidoyl)phenyl]hexadecanamide; 2,4,6-trimethyl-3-nitro-benzoic acid

Systemtic Name: N-[4-(phenylsulfinimidoyl)phenyl]hexadecanamide; 2,4,6-trimethyl-3-nitro-benzoic acid Openeye Name: N-[4-(phenylsulfinimidoyl)phenyl]hexadecanamide; 2,4,6-trimethyl-3-nitro-benzoic acid CAS Name: N-[4-(phenylsulfinimidoyl)phenyl]hexadecanamide; 2,4,6-trimethyl-3-nitrobenzoic acid IUPAC Name: N-[4-(phenylsulfinimidoyl)phenyl]hexadecanamide; 2,4,6-trimethyl-3-nitrobenzoic acid Traditional Name: N-[4-(phenylsulfinimidoyl)phenyl]palmitamide; 2,4,6-trimethyl-3-nitro-benzoic acid Formula: C38H53N3O5S MolecularWeight: 663.90952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)S(=N)C2=CC=CC=C2.CC1=CC(=C(C(=C1C(=O)O)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)S(=N)C2=CC=CC=C2.CC1=CC(=C(C(=C1C(=O)O)C)[N+](=O)[O-])C

InChI

InChI=1S/C28H42N2OS.C10H11NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(31)30-25-21-23-27(24-22-25)32(29)26-18-15-14-16-19-26;1-5-4-6(2)9(11(14)15)7(3)8(5)10(12)13/h14-16,18-19,21-24,29H,2-13,17,20H2,1H3,(H,30,31);4H,1-3H3,(H,12,13)