sodium [4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-2-(sulfonatomethyl)phenyl]methanesulfonate

Systemtic Name: sodium [4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-2-(sulfonatomethyl)phenyl]methanesulfonate Openeye Name: sodium [4-[[4-(diethylamino)phenyl]-(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-2-(sulfonatomethyl)phenyl]methanesulfonate CAS Name: sodium [4-[[4-(diethylamino)phenyl]-(4-diethyliminio-1-cyclohexa-2,5-dienylidene)methyl]-2-(sulfonatomethyl)phenyl]methanesulfonate IUPAC Name: sodium [4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-2-(sulfonatomethyl)phenyl]methanesulfonate Traditional Name: sodium [4-[[4-(diethylamino)phenyl]-(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-2-(sulfonatomethyl)phenyl]methanesulfonate Formula: C29H35N2NaO6S2 MolecularWeight: 594.71777

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3)CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3)CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C29H36N2O6S2.Na/c1-5-30(6-2)27-15-11-22(12-16-27)29(23-13-17-28(18-14-23)31(7-3)8-4)24-9-10-25(20-38(32,33)34)26(19-24)21-39(35,36)37;/h9-19H,5-8,20-21H2,1-4H3,(H-,32,33,34,35,36,37);/q;+1/p-1