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2-[(E)-(hexadecylcarbamothioylhydrazinylidene)methyl]benzoic acid

2-[(E)-(hexadecylcarbamothioylhydrazinylidene)methyl]benzoic acid

Systemtic Name:2-[(E)-(hexadecylcarbamothioylhydrazinylidene)methyl]benzoic acid
Openeye Name:2-[(E)-(hexadecylcarbamothioylhydrazono)methyl]benzoic acid
CAS Name:2-[(E)-[[(hexadecylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid
IUPAC Name:2-[(E)-(hexadecylcarbamothioylhydrazinylidene)methyl]benzoic acid
Traditional Name:2-[(E)-(cetylthiocarbamoylhydrazono)methyl]benzoic acid
Formula: C25H41N3O2S
MolecularWeight: 447.67694
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=CC=C1C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)N/N=C/C1=CC=CC=C1C(=O)O


InChI

InChI=1S/C25H41N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-25(31)28-27-21-22-18-15-16-19-23(22)24(29)30/h15-16,18-19,21H,2-14,17,20H2,1H3,(H,29,30)(H2,26,28,31)/b27-21+


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