sodium 7-[[4-(2-methoxyethoxycarbonylamino)phenyl]amino]-4-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: sodium 7-[[4-(2-methoxyethoxycarbonylamino)phenyl]amino]-4-oxidanyl-naphthalene-2-sulfonate Openeye Name: sodium 4-hydroxy-7-[4-(2-methoxyethoxycarbonylamino)anilino]naphthalene-2-sulfonate CAS Name: sodium 4-hydroxy-7-[4-[[2-methoxyethoxy(oxo)methyl]amino]anilino]-2-naphthalenesulfonate IUPAC Name: sodium 4-hydroxy-7-[4-(2-methoxyethoxycarbonylamino)anilino]naphthalene-2-sulfonate Traditional Name: sodium 4-hydroxy-7-[4-(2-methoxyethoxycarbonylamino)anilino]naphthalene-2-sulfonate Formula: C20H19N2NaO7S MolecularWeight: 454.42883

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)NC1=CC=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COCCOC(=O)NC1=CC=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H20N2O7S.Na/c1-28-8-9-29-20(24)22-15-4-2-14(3-5-15)21-16-6-7-18-13(10-16)11-17(12-19(18)23)30(25,26)27;/h2-7,10-12,21,23H,8-9H2,1H3,(H,22,24)(H,25,26,27);/q;+1/p-1