disodium 3-isothiocyanatonaphthalene-1,5-disulfonate

Systemtic Name: disodium 3-isothiocyanatonaphthalene-1,5-disulfonate Openeye Name: disodium 3-isothiocyanatonaphthalene-1,5-disulfonate CAS Name: disodium 3-isothiocyanatonaphthalene-1,5-disulfonate IUPAC Name: disodium 3-isothiocyanatonaphthalene-1,5-disulfonate Traditional Name: disodium 3-isothiocyanatonaphthalene-1,5-disulfonate Formula: C11H5NNa2O6S3 MolecularWeight: 389.33504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])N=C=S)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])N=C=S)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C11H7NO6S3.2Na/c13-20(14,15)10-3-1-2-8-9(10)4-7(12-6-19)5-11(8)21(16,17)18;;/h1-5H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2