octyl 3-[3-(5-chloranylbenzotriazol-2-yl)-5-methyl-4-(phenylsulfonyloxy)phenyl]propanoate

Systemtic Name: octyl 3-[3-(5-chloranylbenzotriazol-2-yl)-5-methyl-4-(phenylsulfonyloxy)phenyl]propanoate Openeye Name: octyl 3-[4-(benzenesulfonyloxy)-3-(5-chlorobenzotriazol-2-yl)-5-methyl-phenyl]propanoate CAS Name: 3-[4-(benzenesulfonyloxy)-3-(5-chloro-2-benzotriazolyl)-5-methylphenyl]propanoic acid octyl ester IUPAC Name: octyl 3-[4-(benzenesulfonyloxy)-3-(5-chlorobenzotriazol-2-yl)-5-methylphenyl]propanoate Traditional Name: 3-[4-besyloxy-3-(5-chlorobenzotriazol-2-yl)-5-methyl-phenyl]propionic acid octyl ester Formula: C30H34ClN3O5S MolecularWeight: 584.12606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)OS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)OS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C30H34ClN3O5S/c1-3-4-5-6-7-11-18-38-29(35)17-14-23-19-22(2)30(39-40(36,37)25-12-9-8-10-13-25)28(20-23)34-32-26-16-15-24(31)21-27(26)33-34/h8-10,12-13,15-16,19-21H,3-7,11,14,17-18H2,1-2H3