4-(4-butan-2-ylphenyl)sulfonyloxy-3-chloranyl-5-methoxy-benzoic acid

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyloxy-3-chloranyl-5-methoxy-benzoic acid Openeye Name: 3-chloro-5-methoxy-4-(4-sec-butylphenyl)sulfonyloxy-benzoic acid CAS Name: 4-(4-butan-2-ylphenyl)sulfonyloxy-3-chloro-5-methoxybenzoic acid IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyloxy-3-chloro-5-methoxybenzoic acid Traditional Name: 3-chloro-5-methoxy-4-(4-sec-butylphenyl)sulfonyloxy-benzoic acid Formula: C18H19ClO6S MolecularWeight: 398.85786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClO6S/c1-4-11(2)12-5-7-14(8-6-12)26(22,23)25-17-15(19)9-13(18(20)21)10-16(17)24-3/h5-11H,4H2,1-3H3,(H,20,21)