5-chloranyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate

Systemtic Name: 5-chloranyl-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate Openeye Name: 3-allyl-5-chloro-2H-1,3-benzothiazole hexaphosphate CAS Name: 5-chloro-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate IUPAC Name: 5-chloro-3-prop-2-enyl-2H-1,3-benzothiazole hexaphosphate Traditional Name: 3-allyl-5-chloro-2H-1,3-benzothiazole hexaphosphate Formula: C10H10ClNO24P6S-18 MolecularWeight: 781.539266

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CSC2=C1C=C(C=C2)Cl.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C=CCN1CSC2=C1C=C(C=C2)Cl.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C10H10ClNS.6H3O4P/c1-2-5-12-7-13-10-4-3-8(11)6-9(10)12;6*1-5(2,3)4/h2-4,6H,1,5,7H2;6*(H3,1,2,3,4)/p-18