2-chloranyl-5-(4-methylphenyl)benzoic acid; 1-(sulfinoamino)hexadecane

Systemtic Name: 2-chloranyl-5-(4-methylphenyl)benzoic acid; 1-(sulfinoamino)hexadecane Openeye Name: 2-chloro-5-(p-tolyl)benzoic acid; 1-(sulfinoamino)hexadecane CAS Name: 2-chloro-5-(4-methylphenyl)benzoic acid; 1-(sulfinoamino)hexadecane IUPAC Name: 2-chloro-5-(4-methylphenyl)benzoic acid; 1-(sulfinoamino)hexadecane Traditional Name: 2-chloro-5-(p-tolyl)benzoic acid; 1-(sulfinoamino)hexadecane Formula: C30H46ClNO4S MolecularWeight: 552.20854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNS(=O)O.CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNS(=O)O.CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H35NO2S.C14H11ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18)19;1-9-2-4-10(5-3-9)11-6-7-13(15)12(8-11)14(16)17/h17H,2-16H2,1H3,(H,18,19);2-8H,1H3,(H,16,17)