2-azanylidene-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-methylidene-1,3-thiazolidin-4-one; methanesulfonic acid

Systemtic Name: 2-azanylidene-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-methylidene-1,3-thiazolidin-4-one; methanesulfonic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-imino-5-methylene-thiazolidin-4-one; methanesulfonic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-imino-5-methylene-4-thiazolidinone; methanesulfonic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-imino-5-methylidene-1,3-thiazolidin-4-one; methanesulfonic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-imino-5-methylene-thiazolidin-4-one; mesylic acid Formula: C19H28N2O5S2 MolecularWeight: 428.56602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=O)C(=C)SC2=N.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C(=O)C(=C)SC2=N.CS(=O)(=O)O

InChI

InChI=1S/C18H24N2O2S.CH4O3S/c1-10-15(22)20(16(19)23-10)11-8-12(17(2,3)4)14(21)13(9-11)18(5,6)7;1-5(2,3)4/h8-9,19,21H,1H2,2-7H3;1H3,(H,2,3,4)