2-azanyl-6-[3,6-bis(diethylamino)xanthen-9-ylidene]-3-methylimino-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 2-azanyl-6-[3,6-bis(diethylamino)xanthen-9-ylidene]-3-methylimino-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 2-amino-6-[3,6-bis(diethylamino)xanthen-9-ylidene]-3-methylimino-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 2-amino-6-[3,6-bis(diethylamino)-9-xanthenylidene]-3-methylimino-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 2-amino-6-[3,6-bis(diethylamino)xanthen-9-ylidene]-3-methyliminocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 2-amino-6-[3,6-bis(diethylamino)xanthen-9-ylidene]-3-methylimino-cyclohexa-1,4-diene-1-carboxylic acid Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O3/c1-6-32(7-2)18-10-12-20-24(16-18)36-25-17-19(33(8-3)9-4)11-13-21(25)26(20)22-14-15-23(31-5)28(30)27(22)29(34)35/h10-17H,6-9,30H2,1-5H3,(H,34,35)