propyl 4-oxidanyl-3-(2-oxidanyl-5-propoxycarbonyl-phenyl)sulfonyl-benzoate

Systemtic Name: propyl 4-oxidanyl-3-(2-oxidanyl-5-propoxycarbonyl-phenyl)sulfonyl-benzoate Openeye Name: propyl 4-hydroxy-3-(2-hydroxy-5-propoxycarbonyl-phenyl)sulfonyl-benzoate CAS Name: 4-hydroxy-3-[2-hydroxy-5-[oxo(propoxy)methyl]phenyl]sulfonylbenzoic acid propyl ester IUPAC Name: propyl 4-hydroxy-3-(2-hydroxy-5-propoxycarbonylphenyl)sulfonylbenzoate Traditional Name: 4-hydroxy-3-(2-hydroxy-5-propoxycarbonyl-phenyl)sulfonyl-benzoic acid propyl ester Formula: C20H22O8S MolecularWeight: 422.44888

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCC)O

Isomeric SMILES

CCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCC)O

InChI

InChI=1S/C20H22O8S/c1-3-9-27-19(23)13-5-7-15(21)17(11-13)29(25,26)18-12-14(6-8-16(18)22)20(24)28-10-4-2/h5-8,11-12,21-22H,3-4,9-10H2,1-2H3