methyl 2-[(6E)-3-azanyl-6-(9H-fluoren-9-ylmethoxycarbonylimino)-2-iodanyl-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[(6E)-3-azanyl-6-(9H-fluoren-9-ylmethoxycarbonylimino)-2-iodanyl-xanthen-9-yl]benzoate Openeye Name: methyl 2-[(6E)-3-amino-6-(9H-fluoren-9-ylmethoxycarbonylimino)-2-iodo-xanthen-9-yl]benzoate CAS Name: 2-[(6E)-3-amino-6-[9H-fluoren-9-ylmethoxy(oxo)methyl]imino-2-iodo-9-xanthenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(6E)-3-amino-6-(9H-fluoren-9-ylmethoxycarbonylimino)-2-iodoxanthen-9-yl]benzoate Traditional Name: 2-[(6E)-3-amino-6-(9H-fluoren-9-ylmethoxycarbonylimino)-2-iodo-xanthen-9-yl]benzoic acid methyl ester Formula: C36H25IN2O5 MolecularWeight: 692.49857

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=CC(=NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C=C3OC7=CC(=C(C=C72)I)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=C/C(=N\C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)/C=C3OC7=CC(=C(C=C72)I)N

InChI

InChI=1S/C36H25IN2O5/c1-42-35(40)26-13-7-6-12-25(26)34-27-15-14-20(16-32(27)44-33-18-31(38)30(37)17-28(33)34)39-36(41)43-19-29-23-10-4-2-8-21(23)22-9-3-5-11-24(22)29/h2-18,29H,19,38H2,1H3/b39-20+