sodium 3-(4-ethylphenyl)-4-(phenoxycarbonylamino)naphthalene-1-sulfonate

Systemtic Name: sodium 3-(4-ethylphenyl)-4-(phenoxycarbonylamino)naphthalene-1-sulfonate Openeye Name: sodium 3-(4-ethylphenyl)-4-(phenoxycarbonylamino)naphthalene-1-sulfonate CAS Name: sodium 3-(4-ethylphenyl)-4-[[oxo(phenoxy)methyl]amino]-1-naphthalenesulfonate IUPAC Name: sodium 3-(4-ethylphenyl)-4-(phenoxycarbonylamino)naphthalene-1-sulfonate Traditional Name: sodium 4-(carbophenoxyamino)-3-(4-ethylphenyl)naphthalene-1-sulfonate Formula: C25H20NNaO5S MolecularWeight: 469.48477

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])NC(=O)OC4=CC=CC=C4.[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])NC(=O)OC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C25H21NO5S.Na/c1-2-17-12-14-18(15-13-17)22-16-23(32(28,29)30)20-10-6-7-11-21(20)24(22)26-25(27)31-19-8-4-3-5-9-19;/h3-16H,2H2,1H3,(H,26,27)(H,28,29,30);/q;+1/p-1