[(Z)-12-[[(2S)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]amino]-12-oxidanylidene-dodec-3-enyl] 2-azido-5-iodanyl-benzoate

Systemtic Name: [(Z)-12-[[(2S)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]amino]-12-oxidanylidene-dodec-3-enyl] 2-azido-5-iodanyl-benzoate Openeye Name: [(Z)-12-[[(1S)-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl]amino]-12-oxo-dodec-3-enyl] 2-azido-5-iodo-benzoate CAS Name: 2-azido-5-iodobenzoic acid [(Z)-12-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-12-oxododec-3-enyl] ester IUPAC Name: [(Z)-12-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-12-oxododec-3-enyl] 2-azido-5-iodobenzoate Traditional Name: 2-azido-5-iodo-benzoic acid [(Z)-12-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)ethyl]amino]-12-keto-dodec-3-enyl] ester Formula: C28H35IN4O5 MolecularWeight: 634.50577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CO)NC(=O)CCCCCCCC=CCCOC(=O)C2=C(C=CC(=C2)I)N=[N+]=[N-])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](CO)NC(=O)CCCCCCC/C=C\CCOC(=O)C2=C(C=CC(=C2)I)N=[N+]=[N-])O

InChI

InChI=1S/C28H35IN4O5/c29-22-13-16-26(32-33-30)25(19-22)28(37)38-17-9-7-5-3-1-2-4-6-8-10-27(36)31-23(20-34)18-21-11-14-24(35)15-12-21/h5,7,11-16,19,23,34-35H,1-4,6,8-10,17-18,20H2,(H,31,36)/b7-5-/t23-/m0/s1