disodium 5-methyl-6-(6-sulfonatonaphthalen-2-yl)naphthalene-2-sulfonate

Systemtic Name: disodium 5-methyl-6-(6-sulfonatonaphthalen-2-yl)naphthalene-2-sulfonate Openeye Name: disodium 5-methyl-6-(6-sulfonato-2-naphthyl)naphthalene-2-sulfonate CAS Name: disodium 5-methyl-6-(6-sulfonato-2-naphthalenyl)-2-naphthalenesulfonate IUPAC Name: disodium 5-methyl-6-(6-sulfonatonaphthalen-2-yl)naphthalene-2-sulfonate Traditional Name: disodium 5-methyl-6-(6-sulfonato-2-naphthyl)naphthalene-2-sulfonate Formula: C21H14Na2O6S2 MolecularWeight: 472.4418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CC(=C2)S(=O)(=O)[O-])C3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC2=C1C=CC(=C2)S(=O)(=O)[O-])C3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H16O6S2.2Na/c1-13-20(8-5-17-12-19(29(25,26)27)7-9-21(13)17)16-3-2-15-11-18(28(22,23)24)6-4-14(15)10-16;;/h2-12H,1H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2