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

Systemtic Name: disodium [4-chloranyl-2-(5-chloranyl-7-methoxy-4-methyl-3-sulfonatooxy-1H-indol-2-yl)naphthalen-1-yl] sulfate Openeye Name: disodium [4-chloro-2-(5-chloro-7-methoxy-4-methyl-3-sulfonatooxy-1H-indol-2-yl)-1-naphthyl] sulfate CAS Name: disodium [4-chloro-2-(5-chloro-7-methoxy-4-methyl-3-sulfonatooxy-1H-indol-2-yl)-1-naphthalenyl] sulfate IUPAC Name: disodium [4-chloro-2-(5-chloro-7-methoxy-4-methyl-3-sulfonatooxy-1H-indol-2-yl)naphthalen-1-yl] sulfate Traditional Name: disodium [4-chloro-2-(5-chloro-7-methoxy-4-methyl-3-sulfato-1H-indol-2-yl)-1-naphthyl] sulfate Formula: C20H13Cl2NNa2O9S2 MolecularWeight: 592.33406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=C(N2)C3=C(C4=CC=CC=C4C(=C3)Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC)Cl.[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C2=C1C(=C(N2)C3=C(C4=CC=CC=C4C(=C3)Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC)Cl.[Na+].[Na+]

InChI

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