trisodium 7-methylnaphthalene-1,3,5-trisulfonate

Systemtic Name: trisodium 7-methylnaphthalene-1,3,5-trisulfonate Openeye Name: trisodium 7-methylnaphthalene-1,3,5-trisulfonate CAS Name: trisodium 7-methylnaphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 7-methylnaphthalene-1,3,5-trisulfonate Traditional Name: trisodium 7-methylnaphthalene-1,3,5-trisulfonate Formula: C11H7Na3O9S3 MolecularWeight: 448.33219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C=C(C2=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C2C=C(C=C(C2=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H10O9S3.3Na/c1-6-2-8-9(10(3-6)22(15,16)17)4-7(21(12,13)14)5-11(8)23(18,19)20;;;/h2-5H,1H3,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3