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

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

Systemtic Name:2-[(E)-(octadecylcarbamothioylhydrazinylidene)methyl]benzoic acid
Openeye Name:2-[(E)-(octadecylcarbamothioylhydrazono)methyl]benzoic acid
CAS Name:2-[(E)-[[(octadecylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid
IUPAC Name:2-[(E)-(octadecylcarbamothioylhydrazinylidene)methyl]benzoic acid
Traditional Name:2-[(E)-(stearylthiocarbamoylhydrazono)methyl]benzoic acid
Formula: C27H45N3O2S
MolecularWeight: 475.7301
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H45N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-27(33)30-29-23-24-20-17-18-21-25(24)26(31)32/h17-18,20-21,23H,2-16,19,22H2,1H3,(H,31,32)(H2,28,30,33)/b29-23+


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