1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; hexadecanoic acid

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; hexadecanoic acid Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-olate; palmitic acid CAS Name: 1,1-dioxo-1,2-benzothiazol-3-olate; hexadecanoic acid IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-olate; hexadecanoic acid Traditional Name: 1,1-diketo-1,2-benzothiazol-3-olate; palmitic acid Formula: C23H36NO5S- MolecularWeight: 438.60064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)O.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

InChI

InChI=1S/C16H32O2.C7H5NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h2-15H2,1H3,(H,17,18);1-4H,(H,8,9)/p-1