[3-chloranyl-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfonyl]phenyl] propanoate

Systemtic Name: [3-chloranyl-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfonyl]phenyl] propanoate Openeye Name: [3-chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfonyl]phenyl] propanoate CAS Name: propanoic acid [3-chloro-4-[3-(4-phenoxy-2-propylphenoxy)propylsulfonyl]phenyl] ester IUPAC Name: [3-chloro-4-[3-(4-phenoxy-2-propylphenoxy)propylsulfonyl]phenyl] propanoate Traditional Name: propionic acid [3-chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfonyl]phenyl] ester Formula: C27H29ClO6S MolecularWeight: 517.03356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCS(=O)(=O)C3=C(C=C(C=C3)OC(=O)CC)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCS(=O)(=O)C3=C(C=C(C=C3)OC(=O)CC)Cl

InChI

InChI=1S/C27H29ClO6S/c1-3-9-20-18-22(33-21-10-6-5-7-11-21)12-14-25(20)32-16-8-17-35(30,31)26-15-13-23(19-24(26)28)34-27(29)4-2/h5-7,10-15,18-19H,3-4,8-9,16-17H2,1-2H3