disodium 7-(phenoxycarbonylamino)naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-(phenoxycarbonylamino)naphthalene-1,3-disulfonate Openeye Name: disodium 7-(phenoxycarbonylamino)naphthalene-1,3-disulfonate CAS Name: disodium 7-[[oxo(phenoxy)methyl]amino]naphthalene-1,3-disulfonate IUPAC Name: disodium 7-(phenoxycarbonylamino)naphthalene-1,3-disulfonate Traditional Name: disodium 7-(carbophenoxyamino)naphthalene-1,3-disulfonate Formula: C17H11NNa2O8S2 MolecularWeight: 467.38068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO8S2.2Na/c19-17(26-13-4-2-1-3-5-13)18-12-7-6-11-8-14(27(20,21)22)10-16(15(11)9-12)28(23,24)25;;/h1-10H,(H,18,19)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2