3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1,4-dicarboxylic acid

Systemtic Name: 3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1,4-dicarboxylic acid Openeye Name: 3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-oxo-cyclohexa-1,4-diene-1,4-dicarboxylic acid CAS Name: 3-[3,6-bis(diethylamino)-9-xanthenylidene]-6-oxocyclohexa-1,4-diene-1,4-dicarboxylic acid IUPAC Name: 3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-oxocyclohexa-1,4-diene-1,4-dicarboxylic acid Traditional Name: 3-[3,6-bis(diethylamino)xanthen-9-ylidene]-6-keto-cyclohexa-1,4-diene-1,4-dicarboxylic acid Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=C(C(=O)C=C3C(=O)O)C(=O)O)C4=C(O2)C=C(C=C4)N(CC)CC

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=C(C(=O)C=C3C(=O)O)C(=O)O)C4=C(O2)C=C(C=C4)N(CC)CC

InChI

InChI=1S/C29H30N2O6/c1-5-30(6-2)17-9-11-19-25(13-17)37-26-14-18(31(7-3)8-4)10-12-20(26)27(19)21-15-23(29(35)36)24(32)16-22(21)28(33)34/h9-16H,5-8H2,1-4H3,(H,33,34)(H,35,36)