O4-(1,3-benzothiazol-2-ylsulfanyl) O1-phenyl butanedioate; octylazanium

Systemtic Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-phenyl butanedioate; octylazanium Openeye Name: O4-(1,3-benzothiazol-2-ylsulfanyl) O1-phenyl butanedioate; octylammonium CAS Name: butanedioic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-phenyl ester; octylammonium IUPAC Name: 4-O-(1,3-benzothiazol-2-ylsulfanyl) 1-O-phenyl butanedioate; octylazanium Traditional Name: octylammonium; succinic acid O4-(1,3-benzothiazol-2-ylthio) ester O1-phenyl ester Formula: C25H33N2O4S2+ MolecularWeight: 489.67052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH3+].C1=CC=C(C=C1)OC(=O)CCC(=O)OSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCC[NH3+].C1=CC=C(C=C1)OC(=O)CCC(=O)OSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13NO4S2.C8H19N/c19-15(21-12-6-2-1-3-7-12)10-11-16(20)22-24-17-18-13-8-4-5-9-14(13)23-17;1-2-3-4-5-6-7-8-9/h1-9H,10-11H2;2-9H2,1H3/p+1