8-(4-chlorophenyl)-2-sulfonyl-octanoic acid; 1-ethyl-4-methoxy-benzene

Systemtic Name: 8-(4-chlorophenyl)-2-sulfonyl-octanoic acid; 1-ethyl-4-methoxy-benzene Openeye Name: 8-(4-chlorophenyl)-2-sulfonyl-octanoic acid; 1-ethyl-4-methoxy-benzene CAS Name: 8-(4-chlorophenyl)-2-sulfonyloctanoic acid; 1-ethyl-4-methoxybenzene IUPAC Name: 8-(4-chlorophenyl)-2-sulfonyloctanoic acid; 1-ethyl-4-methoxybenzene Traditional Name: 8-(4-chlorophenyl)-2-sulfonyl-caprylic acid; 1-ethyl-4-methoxy-benzene Formula: C23H29ClO5S MolecularWeight: 452.99136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC.C1=CC(=CC=C1CCCCCCC(=S(=O)=O)C(=O)O)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OC.C1=CC(=CC=C1CCCCCCC(=S(=O)=O)C(=O)O)Cl

InChI

InChI=1S/C14H17ClO4S.C9H12O/c15-12-9-7-11(8-10-12)5-3-1-2-4-6-13(14(16)17)20(18)19;1-3-8-4-6-9(10-2)7-5-8/h7-10H,1-6H2,(H,16,17);4-7H,3H2,1-2H3