4-methylbenzenesulfonic acid; [(2S,3S)-2-(4-methylphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]thallium

Systemtic Name: 4-methylbenzenesulfonic acid; [(2S,3S)-2-(4-methylphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]thallium Openeye Name: 4-methylbenzenesulfonic acid; [(2S,3S)-4-oxo-2-(p-tolyl)chroman-3-yl]thallium CAS Name: 4-methylbenzenesulfonic acid; [(2S,3S)-2-(4-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]thallium IUPAC Name: 4-methylbenzenesulfonic acid; [(2S,3S)-2-(4-methylphenyl)-4-oxo-2,3-dihydrochromen-3-yl]thallium Traditional Name: [(2S,3S)-4-keto-2-(p-tolyl)chroman-3-yl]thallium; tosylic acid Formula: C30H29O8S2Tl MolecularWeight: 786.05976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)[Tl].CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)C3=CC=CC=C3O2)[Tl].CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H13O2.2C7H8O3S.Tl/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16;2*1-6-2-4-7(5-3-6)11(8,9)10;/h2-10,16H,1H3;2*2-5H,1H3,(H,8,9,10);/t16-;;;/m1.../s1