benzamide; benzenesulfonic acid; dihydrate

Systemtic Name: benzamide; benzenesulfonic acid; dihydrate Openeye Name: benzamide; benzenesulfonic acid; dihydrate CAS Name: benzamide; benzenesulfonic acid; dihydrate IUPAC Name: benzamide; benzenesulfonic acid; dihydrate Traditional Name: benzamide; besylic acid; dihydrate Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N.C1=CC=C(C=C1)S(=O)(=O)O.O.O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N.C1=CC=C(C=C1)S(=O)(=O)O.O.O

InChI

InChI=1S/C7H7NO.C6H6O3S.2H2O/c8-7(9)6-4-2-1-3-5-6;7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H2,8,9);1-5H,(H,7,8,9);2*1H2