1-octadecoxycarbonyloxyethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 1-octadecoxycarbonyloxyethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: 1-octadecoxycarbonyloxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid 1-[octadecoxy(oxo)methoxy]ethyl ester IUPAC Name: 1-octadecoxycarbonyloxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid 1-stearyloxycarbonyloxyethyl ester Formula: C33H51I3N2O7 MolecularWeight: 968.48065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)OC(C)OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)OC(C)OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C33H51I3N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-43-33(42)45-25(4)44-32(41)26-27(34)30(37-23(2)39)29(36)31(28(26)35)38(5)24(3)40/h25H,6-22H2,1-5H3,(H,37,39)