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

Systemtic Name: 3-(6-azanylhexanoylimino)-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-(6-aminohexanoylimino)-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-(6-amino-1-oxohexyl)imino-6-[3,6-bis(dimethylamino)-9-xanthenylidene]-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-(6-aminohexanoylimino)-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]cyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-(6-aminohexanoylimino)-6-[3,6-bis(dimethylamino)xanthen-9-ylidene]cyclohexa-1,4-diene-1-carboxylic acid Formula: C30H34N4O4 MolecularWeight: 514.61536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O4/c1-33(2)20-10-13-23-26(17-20)38-27-18-21(34(3)4)11-14-24(27)29(23)22-12-9-19(16-25(22)30(36)37)32-28(35)8-6-5-7-15-31/h9-14,16-18H,5-8,15,31H2,1-4H3,(H,36,37)