2-[(2H-benzotriazol-5-yloxycarbonylamino)methylsulfanyl]terephthalic acid

Systemtic Name: 2-[(2H-benzotriazol-5-yloxycarbonylamino)methylsulfanyl]terephthalic acid Openeye Name: 2-[(2H-benzotriazol-5-yloxycarbonylamino)methylsulfanyl]terephthalic acid CAS Name: 2-[[[2H-benzotriazol-5-yloxy(oxo)methyl]amino]methylthio]terephthalic acid IUPAC Name: 2-[(2H-benzotriazol-5-yloxycarbonylamino)methylsulfanyl]terephthalic acid Traditional Name: 2-[(2H-benzotriazol-5-yloxycarbonylamino)methylthio]terephthalic acid Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)SCNC(=O)OC2=CC3=NNN=C3C=C2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)SCNC(=O)OC2=CC3=NNN=C3C=C2)C(=O)O

InChI

InChI=1S/C16H12N4O6S/c21-14(22)8-1-3-10(15(23)24)13(5-8)27-7-17-16(25)26-9-2-4-11-12(6-9)19-20-18-11/h1-6H,7H2,(H,17,25)(H,21,22)(H,23,24)(H,18,19,20)