disodium [4-chloranyl-2-[(5-chloranyl-7-methoxy-4-methyl-1H-indol-3-yl)oxysulfonyloxy]naphthalen-1-yl] sulfate

Systemtic Name: disodium [4-chloranyl-2-[(5-chloranyl-7-methoxy-4-methyl-1H-indol-3-yl)oxysulfonyloxy]naphthalen-1-yl] sulfate Openeye Name: disodium [4-chloro-2-[(5-chloro-7-methoxy-4-methyl-1H-indol-3-yl)oxysulfonyloxy]-1-naphthyl] sulfate CAS Name: disodium [4-chloro-2-[(5-chloro-7-methoxy-4-methyl-1H-indol-3-yl)oxysulfonyloxy]-1-naphthalenyl] sulfate IUPAC Name: disodium [4-chloro-2-[(5-chloro-7-methoxy-4-methyl-1H-indol-3-yl)oxysulfonyloxy]naphthalen-1-yl] sulfate Traditional Name: disodium [4-chloro-2-[(5-chloro-7-methoxy-4-methyl-1H-indol-3-yl)oxysulfonyloxy]-1-naphthyl] sulfate Formula: C20H14Cl2NNa2O9S2+ MolecularWeight: 593.342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=CN2)OS(=O)(=O)OC3=C(C4=CC=CC=C4C(=C3)Cl)OS(=O)(=O)[O-])OC)Cl.[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C2=C1C(=CN2)OS(=O)(=O)OC3=C(C4=CC=CC=C4C(=C3)Cl)OS(=O)(=O)[O-])OC)Cl.[Na+].[Na+]

InChI

InChI=1S/C20H15Cl2NO9S2.2Na/c1-10-13(21)7-15(29-2)19-18(10)17(9-23-19)31-34(27,28)30-16-8-14(22)11-5-3-4-6-12(11)20(16)32-33(24,25)26;;/h3-9,23H,1-2H3,(H,24,25,26);;/q;2*+1/p-1