3-chloranyl-5-methoxy-4-(4-propylphenyl)sulfonyloxy-benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-(4-propylphenyl)sulfonyloxy-benzoic acid Openeye Name: 3-chloro-5-methoxy-4-(4-propylphenyl)sulfonyloxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-(4-propylphenyl)sulfonyloxybenzoic acid IUPAC Name: 3-chloro-5-methoxy-4-(4-propylphenyl)sulfonyloxybenzoic acid Traditional Name: 3-chloro-5-methoxy-4-(4-propylphenyl)sulfonyloxy-benzoic acid Formula: C17H17ClO6S MolecularWeight: 384.83128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC

InChI

InChI=1S/C17H17ClO6S/c1-3-4-11-5-7-13(8-6-11)25(21,22)24-16-14(18)9-12(17(19)20)10-15(16)23-2/h5-10H,3-4H2,1-2H3,(H,19,20)