6-[3,6-bis(dimethylamino)xanthen-9-ylidene]-3-ethanoylimino-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 6-[3,6-bis(dimethylamino)xanthen-9-ylidene]-3-ethanoylimino-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-acetylimino-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-acetylimino-6-[3,6-bis(dimethylamino)-9-xanthenylidene]-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-acetylimino-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]cyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-acetylimino-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]cyclohexa-1,4-diene-1-carboxylic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1C=CC(=C2C3=C(C=C(C=C3)N(C)C)OC4=C2C=CC(=C4)N(C)C)C(=C1)C(=O)O

Isomeric SMILES

CC(=O)N=C1C=CC(=C2C3=C(C=C(C=C3)N(C)C)OC4=C2C=CC(=C4)N(C)C)C(=C1)C(=O)O

InChI

InChI=1S/C26H25N3O4/c1-15(30)27-16-6-9-19(22(12-16)26(31)32)25-20-10-7-17(28(2)3)13-23(20)33-24-14-18(29(4)5)8-11-21(24)25/h6-14H,1-5H3,(H,31,32)