3-phenylpropyl 4-chloranyl-3-(3-phenylpropylsulfonyl)benzoate

Systemtic Name: 3-phenylpropyl 4-chloranyl-3-(3-phenylpropylsulfonyl)benzoate Openeye Name: 3-phenylpropyl 4-chloro-3-(3-phenylpropylsulfonyl)benzoate CAS Name: 4-chloro-3-(3-phenylpropylsulfonyl)benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-chloro-3-(3-phenylpropylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3-phenylpropylsulfonyl)benzoic acid 3-phenylpropyl ester Formula: C25H25ClO4S MolecularWeight: 456.9816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H25ClO4S/c26-23-16-15-22(25(27)30-17-7-13-20-9-3-1-4-10-20)19-24(23)31(28,29)18-8-14-21-11-5-2-6-12-21/h1-6,9-12,15-16,19H,7-8,13-14,17-18H2