sodium 4-[[6'-[(2,4-dimethylphenyl)amino]-1,1-bis(oxidanidyl)spiro[2,1$l^{4}-benzoxathiole-3,9'-xanthene]-3'-yl]amino]-2,3-dimethyl-benzenesulfonic acid

Systemtic Name: sodium 4-[[6'-[(2,4-dimethylphenyl)amino]-1,1-bis(oxidanidyl)spiro[2,1$l^{4}-benzoxathiole-3,9'-xanthene]-3'-yl]amino]-2,3-dimethyl-benzenesulfonic acid Openeye Name: sodium 4-[[6'-(2,4-dimethylanilino)-1,1-dioxido-spiro[2,1$l^{4}-benzoxathiole-3,9'-xanthene]-3'-yl]amino]-2,3-dimethyl-benzenesulfonic acid CAS Name: sodium 4-[[6'-(2,4-dimethylanilino)-1,1-dioxido-3'-spiro[2,1$l^{4}-benzoxathiole-3,9'-xanthene]yl]amino]-2,3-dimethylbenzenesulfonic acid IUPAC Name: sodium 4-[[6'-(2,4-dimethylanilino)-1,1-dioxidospiro[2,1$l^{4}-benzoxathiole-3,9'-xanthene]-3'-yl]amino]-2,3-dimethylbenzenesulfonic acid Traditional Name: sodium 4-[[6'-(2,4-dimethylanilino)-1,1-dioxido-spiro[2,1$l^{4}-benzoxathiole-3,9'-xanthene]-3'-yl]amino]-2,3-dimethyl-besylic acid Formula: C35H30N2NaO7S2- MolecularWeight: 677.74167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)NC6=C(C(=C(C=C6)S(=O)(=O)O)C)C)C7=CC=CC=C7S(O4)([O-])[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)NC6=C(C(=C(C=C6)S(=O)(=O)O)C)C)C7=CC=CC=C7S(O4)([O-])[O-])C.[Na+]

InChI

InChI=1S/C35H32N2O7S2.Na/c1-20-9-14-29(21(2)17-20)36-24-10-12-26-31(18-24)43-32-19-25(37-30-15-16-33(45(38,39)40)23(4)22(30)3)11-13-27(32)35(26)28-7-5-6-8-34(28)46(41,42)44-35;/h5-19,36-37,41-42H,1-4H3,(H,38,39,40);/q;+1/p-2