[2-[2-[2-[bis(carboxymethyl)amino]-5-fluoranyl-phenoxy]ethoxy]-4-[3,6-bis(dimethylamino)-2,7-bis(fluoranyl)xanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(carboxymethyl)azanium

Systemtic Name: [2-[2-[2-[bis(carboxymethyl)amino]-5-fluoranyl-phenoxy]ethoxy]-4-[3,6-bis(dimethylamino)-2,7-bis(fluoranyl)xanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(carboxymethyl)azanium Openeye Name: [2-[2-[2-[bis(carboxymethyl)amino]-5-fluoro-phenoxy]ethoxy]-4-[3,6-bis(dimethylamino)-2,7-difluoro-xanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(carboxymethyl)ammonium CAS Name: [2-[2-[2-[bis(carboxymethyl)amino]-5-fluorophenoxy]ethoxy]-4-[3,6-bis(dimethylamino)-2,7-difluoro-9-xanthenylidene]-1-cyclohexa-2,5-dienylidene]-bis(carboxymethyl)ammonium IUPAC Name: [2-[2-[2-[bis(carboxymethyl)amino]-5-fluorophenoxy]ethoxy]-4-[3,6-bis(dimethylamino)-2,7-difluoroxanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(carboxymethyl)azanium Traditional Name: [2-[2-[2-[bis(carboxymethyl)amino]-5-fluoro-phenoxy]ethoxy]-4-[3,6-bis(dimethylamino)-2,7-difluoro-xanthen-9-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(carboxymethyl)ammonium Formula: C39H38F3N4O11+ MolecularWeight: 795.73443

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C(=C1)OC3=CC(=C(C=C3C2=C4C=CC(=[N+](CC(=O)O)CC(=O)O)C(=C4)OCCOC5=C(C=CC(=C5)F)N(CC(=O)O)CC(=O)O)F)N(C)C)F

Isomeric SMILES

CN(C)C1=C(C=C2C(=C1)OC3=CC(=C(C=C3C2=C4C=CC(=[N+](CC(=O)O)CC(=O)O)C(=C4)OCCOC5=C(C=CC(=C5)F)N(CC(=O)O)CC(=O)O)F)N(C)C)F

InChI

InChI=1S/C39H37F3N4O11/c1-43(2)29-15-31-23(13-25(29)41)39(24-14-26(42)30(44(3)4)16-32(24)57-31)21-5-7-27(45(17-35(47)48)18-36(49)50)33(11-21)55-9-10-56-34-12-22(40)6-8-28(34)46(19-37(51)52)20-38(53)54/h5-8,11-16H,9-10,17-20H2,1-4H3,(H3-,47,48,49,50,51,52,53,54)/p+1