disodium 4-azanyl-5-sulfo-naphthalene-2,7-disulfonate hydrate

Systemtic Name: disodium 4-azanyl-5-sulfo-naphthalene-2,7-disulfonate hydrate Openeye Name: disodium 4-amino-5-sulfo-naphthalene-2,7-disulfonate hydrate CAS Name: disodium 4-amino-5-sulfonaphthalene-2,7-disulfonate hydrate IUPAC Name: disodium 4-amino-5-sulfonaphthalene-2,7-disulfonate hydrate Traditional Name: disodium 4-amino-5-sulfo-naphthalene-2,7-disulfonate hydrate Formula: C10H9NNa2O10S3 MolecularWeight: 445.3537

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)O)S(=O)(=O)[O-].O.[Na+].[Na+]

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)O)S(=O)(=O)[O-].O.[Na+].[Na+]

InChI

InChI=1S/C10H9NO9S3.2Na.H2O/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;1H2/q;2*+1;/p-2