sodium 5-(phenylmethoxycarbonylamino)naphthalene-1-sulfonate

Systemtic Name: sodium 5-(phenylmethoxycarbonylamino)naphthalene-1-sulfonate Openeye Name: sodium 5-(benzyloxycarbonylamino)naphthalene-1-sulfonate CAS Name: sodium 5-(phenylmethoxycarbonylamino)-1-naphthalenesulfonate IUPAC Name: sodium 5-(phenylmethoxycarbonylamino)naphthalene-1-sulfonate Traditional Name: sodium 5-(benzyloxycarbonylamino)naphthalene-1-sulfonate Formula: C18H14NNaO5S MolecularWeight: 379.36223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H15NO5S.Na/c20-18(24-12-13-6-2-1-3-7-13)19-16-10-4-9-15-14(16)8-5-11-17(15)25(21,22)23;/h1-11H,12H2,(H,19,20)(H,21,22,23);/q;+1/p-1