sodium 6-[bis[4-(ethylamino)phenyl]methylidene]-3-oxidanylidene-cyclohexa-1,4-diene-1-sulfonate

Systemtic Name: sodium 6-[bis[4-(ethylamino)phenyl]methylidene]-3-oxidanylidene-cyclohexa-1,4-diene-1-sulfonate Openeye Name: sodium 6-[bis[4-(ethylamino)phenyl]methylene]-3-oxo-cyclohexa-1,4-diene-1-sulfonate CAS Name: sodium 6-[bis[4-(ethylamino)phenyl]methylidene]-3-oxo-1-cyclohexa-1,4-dienesulfonate IUPAC Name: sodium 6-[bis[4-(ethylamino)phenyl]methylidene]-3-oxocyclohexa-1,4-diene-1-sulfonate Traditional Name: sodium 6-[bis[4-(ethylamino)phenyl]methylene]-3-keto-cyclohexa-1,4-diene-1-sulfonate Formula: C23H23N2NaO4S MolecularWeight: 446.49449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(C=C1)C(=C2C=CC(=O)C=C2S(=O)(=O)[O-])C3=CC=C(C=C3)NCC.[Na+]

Isomeric SMILES

CCNC1=CC=C(C=C1)C(=C2C=CC(=O)C=C2S(=O)(=O)[O-])C3=CC=C(C=C3)NCC.[Na+]

InChI

InChI=1S/C23H24N2O4S.Na/c1-3-24-18-9-5-16(6-10-18)23(17-7-11-19(12-8-17)25-4-2)21-14-13-20(26)15-22(21)30(27,28)29;/h5-15,24-25H,3-4H2,1-2H3,(H,27,28,29);/q;+1/p-1