3-naphthalen-2-yloxycarbonylbenzenesulfonic acid; pyridine; dihydrate

Systemtic Name: 3-naphthalen-2-yloxycarbonylbenzenesulfonic acid; pyridine; dihydrate Openeye Name: 3-(2-naphthyloxycarbonyl)benzenesulfonic acid; pyridine; dihydrate CAS Name: 3-[2-naphthalenyloxy(oxo)methyl]benzenesulfonic acid; pyridine; dihydrate IUPAC Name: 3-naphthalen-2-yloxycarbonylbenzenesulfonic acid; pyridine; dihydrate Traditional Name: 3-(2-naphthoxycarbonyl)besylic acid; pyridine; dihydrate Formula: C22H21NO7S MolecularWeight: 443.46964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC=C1.C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC(=CC=C3)S(=O)(=O)O.O.O

Isomeric SMILES

C1=CC=NC=C1.C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC(=CC=C3)S(=O)(=O)O.O.O

InChI

InChI=1S/C17H12O5S.C5H5N.2H2O/c18-17(14-6-3-7-16(11-14)23(19,20)21)22-15-9-8-12-4-1-2-5-13(12)10-15;1-2-4-6-5-3-1;;/h1-11H,(H,19,20,21);1-5H;2*1H2