trisodium naphthalene-1,3,6-trisulfonate hydrate

Systemtic Name: trisodium naphthalene-1,3,6-trisulfonate hydrate Openeye Name: trisodium naphthalene-1,3,6-trisulfonate hydrate CAS Name: trisodium naphthalene-1,3,6-trisulfonate hydrate IUPAC Name: trisodium naphthalene-1,3,6-trisulfonate hydrate Traditional Name: trisodium naphthalene-1,3,6-trisulfonate hydrate Formula: C10H7Na3O10S3 MolecularWeight: 452.32089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H8O9S3.3Na.H2O/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;;1H2/q;3*+1;/p-3