sodium 4-[3-(diethylamino)-6-diethylazaniumylidene-2,7-dimethyl-xanthen-9-yl]benzene-1,3-disulfonate

Systemtic Name: sodium 4-[3-(diethylamino)-6-diethylazaniumylidene-2,7-dimethyl-xanthen-9-yl]benzene-1,3-disulfonate Openeye Name: sodium 4-[3-(diethylamino)-6-diethyliminio-2,7-dimethyl-xanthen-9-yl]benzene-1,3-disulfonate CAS Name: sodium 4-[3-(diethylamino)-6-diethyliminio-2,7-dimethyl-9-xanthenyl]benzene-1,3-disulfonate IUPAC Name: sodium 4-[3-(diethylamino)-6-diethylazaniumylidene-2,7-dimethylxanthen-9-yl]benzene-1,3-disulfonate Traditional Name: sodium 4-[3-(diethylamino)-6-diethyliminio-2,7-dimethyl-xanthen-9-yl]benzene-1,3-disulfonate Formula: C29H33N2NaO7S2 MolecularWeight: 608.70129

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+]

Isomeric SMILES

CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+]

InChI

InChI=1S/C29H34N2O7S2.Na/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4;/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1/p-1