disodium 3-[[9,10-bis(oxidanylidene)-4-[(2,4,6-trimethyl-3-sulfonato-phenyl)amino]anthracen-1-yl]amino]-2,4,6-trimethyl-benzenesulfonate

Systemtic Name: disodium 3-[[9,10-bis(oxidanylidene)-4-[(2,4,6-trimethyl-3-sulfonato-phenyl)amino]anthracen-1-yl]amino]-2,4,6-trimethyl-benzenesulfonate Openeye Name: disodium 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonato-anilino)-1-anthryl]amino]-2,4,6-trimethyl-benzenesulfonate CAS Name: disodium 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)-1-anthracenyl]amino]-2,4,6-trimethylbenzenesulfonate IUPAC Name: disodium 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate Traditional Name: disodium 3-[[9,10-diketo-4-(2,4,6-trimethyl-3-sulfonato-anilino)-1-anthryl]amino]-2,4,6-trimethyl-besylate Formula: C32H28N2Na2O8S2 MolecularWeight: 678.68286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)[O-])C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)[O-])C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C32H30N2O8S2.2Na/c1-15-13-17(3)31(43(37,38)39)19(5)27(15)33-23-11-12-24(26-25(23)29(35)21-9-7-8-10-22(21)30(26)36)34-28-16(2)14-18(4)32(20(28)6)44(40,41)42;;/h7-14,33-34H,1-6H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2