naphthalene-2-sulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: naphthalene-2-sulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: naphthalene-2-sulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 2-naphthalenesulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate IUPAC Name: naphthalene-2-sulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: naphthalene-2-sulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Formula: C26H21NO5S-2 MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-].C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-].C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H15NO2.C10H8O3S/c18-16(19)17-11-10-12-6-4-5-9-14(12)15(17)13-7-2-1-3-8-13;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-9,15H,10-11H2,(H,18,19);1-7H,(H,11,12,13)/p-2