3a,4,4,7,7,7a-hexakis(chloranyl)-2-octadecyl-1-oxidanylidene-1,2-benzothiazol-3-one

Systemtic Name: 3a,4,4,7,7,7a-hexakis(chloranyl)-2-octadecyl-1-oxidanylidene-1,2-benzothiazol-3-one Openeye Name: 3a,4,4,7,7,7a-hexachloro-2-octadecyl-1-oxo-1,2-benzothiazol-3-one CAS Name: 3a,4,4,7,7,7a-hexachloro-2-octadecyl-1-oxo-1,2-benzothiazol-3-one IUPAC Name: 3a,4,4,7,7,7a-hexachloro-2-octadecyl-1-oxo-1,2-benzothiazol-3-one Traditional Name: 3a,4,4,7,7,7a-hexachloro-1-keto-2-stearyl-1,2-benzothiazol-3-one Formula: C25H39Cl6NO2S MolecularWeight: 630.36566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2(C(C=CC(C2(S1=O)Cl)(Cl)Cl)(Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2(C(C=CC(C2(S1=O)Cl)(Cl)Cl)(Cl)Cl)Cl

InChI

InChI=1S/C25H39Cl6NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-21(33)24(30)22(26,27)18-19-23(28,29)25(24,31)35(32)34/h18-19H,2-17,20H2,1H3