4-methylbenzenesulfonic acid; 2-(5-oxidanylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(5-oxidanylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-ol Openeye Name: 2-(5-hydroxycyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-ol; 4-methylbenzenesulfonic acid CAS Name: 2-(5-hydroxy-1-cyclopenta-1,3-dienyl)-1-cyclopenta-1,4-dienol; 4-methylbenzenesulfonic acid IUPAC Name: 2-(5-hydroxycyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-ol; 4-methylbenzenesulfonic acid Traditional Name: 2-(5-hydroxycyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-ol; tosylic acid Formula: C24H26O8S2 MolecularWeight: 506.58844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1C=CC(=C1C2=CC=CC2O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1C=CC(=C1C2=CC=CC2O)O

InChI

InChI=1S/C10H10O2.2C7H8O3S/c11-9-5-1-3-7(9)8-4-2-6-10(8)12;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,9,11-12H,4H2;2*2-5H,1H3,(H,8,9,10)