[5,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrrol-2-yl]peroxymethanethioic S-acid

Systemtic Name: [5,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrrol-2-yl]peroxymethanethioic S-acid Openeye Name: [5,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrrol-2-yl]peroxymethanethioic S-acid CAS Name: [5,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrrol-2-yl]dioxymethanethioic S-acid IUPAC Name: [5,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrrol-2-yl]peroxymethanethioic S-acid Traditional Name: (3-mesityl-5,5-dimethyl-1-pyrrolin-2-yl)peroxythioformic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2CC(N=C2OOC(=O)S)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2CC(N=C2OOC(=O)S)(C)C)C

InChI

InChI=1S/C16H21NO3S/c1-9-6-10(2)13(11(3)7-9)12-8-16(4,5)17-14(12)19-20-15(18)21/h6-7,12H,8H2,1-5H3,(H,18,21)