disodium 1-[(2-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid

Systemtic Name: disodium 1-[(2-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid Openeye Name: disodium 1-[(2-sulfo-1-naphthyl)methyl]naphthalene-2-sulfonic acid CAS Name: disodium 1-[(2-sulfo-1-naphthalenyl)methyl]-2-naphthalenesulfonic acid IUPAC Name: disodium 1-[(2-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid Traditional Name: disodium 1-[(2-sulfo-1-naphthyl)methyl]naphthalene-2-sulfonic acid Formula: C21H16Na2O6S2+2 MolecularWeight: 474.45768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C21H16O6S2.2Na/c22-28(23,24)20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)29(25,26)27;;/h1-12H,13H2,(H,22,23,24)(H,25,26,27);;/q;2*+1