[4-[[3,4-bis(sulfomethyl)phenyl]-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium

Systemtic Name: [4-[[3,4-bis(sulfomethyl)phenyl]-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium Openeye Name: [4-[[3,4-bis(sulfomethyl)phenyl]-[4-(diethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium CAS Name: [4-[[3,4-bis(sulfomethyl)phenyl]-[4-(diethylamino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium IUPAC Name: [4-[[3,4-bis(sulfomethyl)phenyl]-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium Traditional Name: [4-[[3,4-bis(sulfomethyl)phenyl]-[4-(diethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium Formula: C29H37N2O6S2+ MolecularWeight: 573.74388

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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

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

InChI

InChI=1S/C29H36N2O6S2/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)/p+1