2-[9-[2-ethoxycarbonyl-4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxidanyl-propylidene]azaniumyl-phenyl]-6-oxidanylidene-xanthen-3-yl]oxyethanoate

Systemtic Name: 2-[9-[2-ethoxycarbonyl-4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxidanyl-propylidene]azaniumyl-phenyl]-6-oxidanylidene-xanthen-3-yl]oxyethanoate Openeye Name: 2-[9-[2-ethoxycarbonyl-4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-propylidene]ammonio-phenyl]-6-oxo-xanthen-3-yl]oxyacetate CAS Name: 2-[[9-[2-ethoxycarbonyl-4-[3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-hydroxypropylidene]ammoniophenyl]-6-oxo-3-xanthenyl]oxy]acetate IUPAC Name: 2-[9-[2-ethoxycarbonyl-4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxypropylidene]azaniumylphenyl]-6-oxoxanthen-3-yl]oxyacetate Traditional Name: 2-[9-[2-carbethoxy-4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-propylidene]ammonio-phenyl]-6-keto-xanthen-3-yl]oxyacetate Formula: C42H34N2O10 MolecularWeight: 726.72676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)[NH+]=C(CCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)OCC(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)[NH+]=C(CCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)OCC(=O)[O-]

InChI

InChI=1S/C42H34N2O10/c1-2-51-41(49)34-19-24(44-38(46)17-18-43-42(50)53-22-35-29-9-5-3-7-27(29)28-8-4-6-10-30(28)35)11-14-31(34)40-32-15-12-25(45)20-36(32)54-37-21-26(13-16-33(37)40)52-23-39(47)48/h3-16,19-21,35H,2,17-18,22-23H2,1H3,(H,43,50)(H,44,46)(H,47,48)