1-chloranyl-4-ethyl-benzene; 7-(4-methoxyphenyl)-2-sulfonyl-heptanoic acid

Systemtic Name: 1-chloranyl-4-ethyl-benzene; 7-(4-methoxyphenyl)-2-sulfonyl-heptanoic acid Openeye Name: 1-chloro-4-ethyl-benzene; 7-(4-methoxyphenyl)-2-sulfonyl-heptanoic acid CAS Name: 1-chloro-4-ethylbenzene; 7-(4-methoxyphenyl)-2-sulfonylheptanoic acid IUPAC Name: 1-chloro-4-ethylbenzene; 7-(4-methoxyphenyl)-2-sulfonylheptanoic acid Traditional Name: 1-chloro-4-ethyl-benzene; 7-(4-methoxyphenyl)-2-sulfonyl-enanthic acid Formula: C22H27ClO5S MolecularWeight: 438.96478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)Cl.COC1=CC=C(C=C1)CCCCCC(=S(=O)=O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)Cl.COC1=CC=C(C=C1)CCCCCC(=S(=O)=O)C(=O)O

InChI

InChI=1S/C14H18O5S.C8H9Cl/c1-19-12-9-7-11(8-10-12)5-3-2-4-6-13(14(15)16)20(17)18;1-2-7-3-5-8(9)6-4-7/h7-10H,2-6H2,1H3,(H,15,16);3-6H,2H2,1H3