[9-[2-carboxy-4-[2-[[4-phosphonooxy-3-(tetradecanoylamino)phenyl]methoxycarbonylamino]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-[2-carboxy-4-[2-[[4-phosphonooxy-3-(tetradecanoylamino)phenyl]methoxycarbonylamino]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-[2-carboxy-4-[2-[[4-phosphonooxy-3-(tetradecanoylamino)phenyl]methoxycarbonylamino]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-[2-carboxy-4-[oxo-[2-[[oxo-[[3-(1-oxotetradecylamino)-4-phosphonooxyphenyl]methoxy]methyl]amino]ethylamino]methyl]phenyl]-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-[2-carboxy-4-[2-[[4-phosphonooxy-3-(tetradecanoylamino)phenyl]methoxycarbonylamino]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-[2-carboxy-4-[2-[[4-phosphonooxy-3-(tetradecanoylamino)benzyl]oxycarbonylamino]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C49H63N5O11P+ MolecularWeight: 929.025181

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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)/p+1