[4-[2-[[3-carboxy-4-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]phenyl]carbonylamino]ethylcarbamoyloxymethyl]-2-(tetradecanoylamino)phenyl] hydrogen phosphate

Systemtic Name: [4-[2-[[3-carboxy-4-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]phenyl]carbonylamino]ethylcarbamoyloxymethyl]-2-(tetradecanoylamino)phenyl] hydrogen phosphate Openeye Name: [4-[2-[[3-carboxy-4-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoyl]amino]ethylcarbamoyloxymethyl]-2-(tetradecanoylamino)phenyl] hydrogen phosphate CAS Name: [4-[[[2-[[[3-carboxy-4-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]phenyl]-oxomethyl]amino]ethylamino]-oxomethoxy]methyl]-2-(1-oxotetradecylamino)phenyl] hydrogen phosphate IUPAC Name: [4-[2-[[3-carboxy-4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoyl]amino]ethylcarbamoyloxymethyl]-2-(tetradecanoylamino)phenyl] hydrogen phosphate Traditional Name: [4-[2-[[3-carboxy-4-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoyl]amino]ethylcarbamoyloxymethyl]-2-(tetradecanoylamino)phenyl] hydrogen phosphate Formula: C49H62N5O11P MolecularWeight: 928.017241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)COC(=O)NCCNC(=O)C2=CC(=C(C=C2)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C)C(=O)O)OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)COC(=O)NCCNC(=O)C2=CC(=C(C=C2)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C)C(=O)O)OP(=O)(O)[O-]

InChI

InChI=1S/C49H62N5O11P/c1-6-7-8-9-10-11-12-13-14-15-16-17-45(55)52-41-28-33(18-25-42(41)65-66(60,61)62)32-63-49(59)51-27-26-50-47(56)34-19-22-37(40(29-34)48(57)58)46-38-23-20-35(53(2)3)30-43(38)64-44-31-36(54(4)5)21-24-39(44)46/h18-25,28-31H,6-17,26-27,32H2,1-5H3,(H5-,50,51,52,55,56,57,58,59,60,61,62)