benzenesulfonic acid; cinnoline

Systemtic Name: benzenesulfonic acid; cinnoline Openeye Name: benzenesulfonic acid; cinnoline CAS Name: benzenesulfonic acid; cinnoline IUPAC Name: benzenesulfonic acid; cinnoline Traditional Name: besylic acid; cinnoline Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CN=N2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CN=N2

InChI

InChI=1S/C8H6N2.2C6H6O3S/c1-2-4-8-7(3-1)5-6-9-10-8;2*7-10(8,9)6-4-2-1-3-5-6/h1-6H;2*1-5H,(H,7,8,9)