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1-[iodanyl(sulfino)amino]hexadecane; 3-(4-methylphenyl)benzoic acid

1-[iodanyl(sulfino)amino]hexadecane; 3-(4-methylphenyl)benzoic acid

Systemtic Name:1-[iodanyl(sulfino)amino]hexadecane; 3-(4-methylphenyl)benzoic acid
Openeye Name:1-[iodo(sulfino)amino]hexadecane; 3-(p-tolyl)benzoic acid
CAS Name:1-[iodo(sulfino)amino]hexadecane; 3-(4-methylphenyl)benzoic acid
IUPAC Name:1-[iodo(sulfino)amino]hexadecane; 3-(4-methylphenyl)benzoic acid
Traditional Name:1-[iodo(sulfino)amino]hexadecane; 3-(p-tolyl)benzoic acid
Formula: C30H46INO4S
MolecularWeight: 643.66001
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(S(=O)O)I.CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCN(S(=O)O)I.CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O


InChI

InChI=1S/C16H34INO2S.C14H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(17)21(19)20;1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-16H2,1H3,(H,19,20);2-9H,1H3,(H,15,16)


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