disodium (3E)-6,6-bis(azaniumylmethyl)-3-[[4-(dimethylamino)-3-sulfonato-phenyl]-[2-ethoxy-4-[(4-methyl-2-sulfonato-phenyl)amino]phenyl]methylidene]cyclohexa-1,4-diene-1-sulfonate

Systemtic Name: disodium (3E)-6,6-bis(azaniumylmethyl)-3-[[4-(dimethylamino)-3-sulfonato-phenyl]-[2-ethoxy-4-[(4-methyl-2-sulfonato-phenyl)amino]phenyl]methylidene]cyclohexa-1,4-diene-1-sulfonate Openeye Name: disodium (3E)-6,6-bis(azaniumylmethyl)-3-[[4-(dimethylamino)-3-sulfonato-phenyl]-[2-ethoxy-4-(4-methyl-2-sulfonato-anilino)phenyl]methylene]cyclohexa-1,4-diene-1-sulfonate CAS Name: disodium (3E)-6,6-bis(ammoniomethyl)-3-[[4-(dimethylamino)-3-sulfonatophenyl]-[2-ethoxy-4-(4-methyl-2-sulfonatoanilino)phenyl]methylidene]-1-cyclohexa-1,4-dienesulfonate IUPAC Name: disodium (3E)-6,6-bis(azaniumylmethyl)-3-[[4-(dimethylamino)-3-sulfonatophenyl]-[2-ethoxy-4-(4-methyl-2-sulfonatoanilino)phenyl]methylidene]cyclohexa-1,4-diene-1-sulfonate Traditional Name: disodium (3E)-6,6-bis(ammoniomethyl)-3-[[4-(dimethylamino)-3-sulfonato-phenyl]-[2-ethoxy-4-(4-methyl-2-sulfonato-anilino)phenyl]methylene]cyclohexa-1,4-diene-1-sulfonate Formula: C32H37N4Na2O10S3+ MolecularWeight: 779.83152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC2=C(C=C(C=C2)C)S(=O)(=O)[O-])C(=C3C=CC(C(=C3)S(=O)(=O)[O-])(C[NH3+])C[NH3+])C4=CC(=C(C=C4)N(C)C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC2=C(C=C(C=C2)C)S(=O)(=O)[O-])/C(=C/3\C=CC(C(=C3)S(=O)(=O)[O-])(C[NH3+])C[NH3+])/C4=CC(=C(C=C4)N(C)C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H38N4O10S3.2Na/c1-5-46-27-17-23(35-25-10-6-20(2)14-28(25)47(37,38)39)8-9-24(27)31(21-7-11-26(36(3)4)29(15-21)48(40,41)42)22-12-13-32(18-33,19-34)30(16-22)49(43,44)45;;/h6-17,35H,5,18-19,33-34H2,1-4H3,(H,37,38,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-1/b31-22+;;