perchloric acid; 2,2,4-trimethyl-3H-1,5-benzothiazepine

Systemtic Name: perchloric acid; 2,2,4-trimethyl-3H-1,5-benzothiazepine Openeye Name: perchloric acid; 2,2,4-trimethyl-3H-1,5-benzothiazepine CAS Name: perchloric acid; 2,2,4-trimethyl-3H-1,5-benzothiazepine IUPAC Name: perchloric acid; 2,2,4-trimethyl-3H-1,5-benzothiazepine Traditional Name: perchloric acid; 2,2,4-trimethyl-3H-1,5-benzothiazepine Formula: C12H16ClNO4S MolecularWeight: 305.77774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2SC(C1)(C)C.OCl(=O)(=O)=O

Isomeric SMILES

CC1=NC2=CC=CC=C2SC(C1)(C)C.OCl(=O)(=O)=O

InChI

InChI=1S/C12H15NS.ClHO4/c1-9-8-12(2,3)14-11-7-5-4-6-10(11)13-9;2-1(3,4)5/h4-7H,8H2,1-3H3;(H,2,3,4,5)