6-[(dodecanoylamino)carbamoyl]-2-(2-oxidanyl-5-phenyl-phenyl)benzotriazole-5-sulfonic acid

Systemtic Name: 6-[(dodecanoylamino)carbamoyl]-2-(2-oxidanyl-5-phenyl-phenyl)benzotriazole-5-sulfonic acid Openeye Name: 6-[(dodecanoylamino)carbamoyl]-2-(2-hydroxy-5-phenyl-phenyl)benzotriazole-5-sulfonic acid CAS Name: 2-(2-hydroxy-5-phenylphenyl)-6-[oxo-(1-oxododecylhydrazo)methyl]-5-benzotriazolesulfonic acid IUPAC Name: 6-[(dodecanoylamino)carbamoyl]-2-(2-hydroxy-5-phenylphenyl)benzotriazole-5-sulfonic acid Traditional Name: 2-(2-hydroxy-5-phenyl-phenyl)-6-[(lauroylamino)carbamoyl]benzotriazole-5-sulfonic acid Formula: C31H37N5O6S MolecularWeight: 607.72038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NNC(=O)C1=CC2=NN(N=C2C=C1S(=O)(=O)O)C3=C(C=CC(=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NNC(=O)C1=CC2=NN(N=C2C=C1S(=O)(=O)O)C3=C(C=CC(=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C31H37N5O6S/c1-2-3-4-5-6-7-8-9-13-16-30(38)32-33-31(39)24-20-25-26(21-29(24)43(40,41)42)35-36(34-25)27-19-23(17-18-28(27)37)22-14-11-10-12-15-22/h10-12,14-15,17-21,37H,2-9,13,16H2,1H3,(H,32,38)(H,33,39)(H,40,41,42)