4-methylbenzenesulfonic acid; 10-nitrosoanthracen-9-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 10-nitrosoanthracen-9-ol Openeye Name: 4-methylbenzenesulfonic acid; 10-nitrosoanthracen-9-ol CAS Name: 4-methylbenzenesulfonic acid; 10-nitroso-9-anthracenol IUPAC Name: 4-methylbenzenesulfonic acid; 10-nitrosoanthracen-9-ol Traditional Name: 10-nitroso-9-anthrol; tosylic acid Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2O)N=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2O)N=O

InChI

InChI=1S/C14H9NO2.C7H8O3S/c16-14-11-7-3-1-5-9(11)13(15-17)10-6-2-4-8-12(10)14;1-6-2-4-7(5-3-6)11(8,9)10/h1-8,16H;2-5H,1H3,(H,8,9,10)