1-[4-(2-chloroethyloxy)phenyl]-1-[4-(oxan-2-yloxy)phenyl]-2-phenyl-butan-1-ol sulfate

Systemtic Name: 1-[4-(2-chloroethyloxy)phenyl]-1-[4-(oxan-2-yloxy)phenyl]-2-phenyl-butan-1-ol sulfate Openeye Name: 1-[4-(2-chloroethoxy)phenyl]-2-phenyl-1-(4-tetrahydropyran-2-yloxyphenyl)butan-1-ol sulfate CAS Name: 1-[4-(2-chloroethoxy)phenyl]-1-[4-(2-oxanyloxy)phenyl]-2-phenyl-1-butanol sulfate IUPAC Name: 1-[4-(2-chloroethoxy)phenyl]-1-[4-(oxan-2-yloxy)phenyl]-2-phenylbutan-1-ol sulfate Traditional Name: 1-[4-(2-chloroethoxy)phenyl]-2-phenyl-1-(4-tetrahydropyran-2-yloxyphenyl)butan-1-ol sulfate Formula: C29H33ClO8S-2 MolecularWeight: 577.08552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C2=CC=C(C=C2)OCCCl)(C3=CC=C(C=C3)OC4CCCCO4)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(C2=CC=C(C=C2)OCCCl)(C3=CC=C(C=C3)OC4CCCCO4)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C29H33ClO4.H2O4S/c1-2-27(22-8-4-3-5-9-22)29(31,23-11-15-25(16-12-23)32-21-19-30)24-13-17-26(18-14-24)34-28-10-6-7-20-33-28;1-5(2,3)4/h3-5,8-9,11-18,27-28,31H,2,6-7,10,19-21H2,1H3;(H2,1,2,3,4)/p-2