disodium (2-methyl-4-sulfonatooxy-naphthalen-1-yl) sulfate trihydrate

Systemtic Name: disodium (2-methyl-4-sulfonatooxy-naphthalen-1-yl) sulfate trihydrate Openeye Name: disodium (2-methyl-4-sulfonatooxy-1-naphthyl) sulfate trihydrate CAS Name: disodium (2-methyl-4-sulfonatooxy-1-naphthalenyl) sulfate trihydrate IUPAC Name: disodium (2-methyl-4-sulfonatooxynaphthalen-1-yl) sulfate trihydrate Traditional Name: disodium (2-methyl-4-sulfato-1-naphthyl) sulfate trihydrate Formula: C11H14Na2O11S2 MolecularWeight: 432.3318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O8S2.2Na.3H2O/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;;3*1H2/q;2*+1;;;/p-2