3-(1-tert-butylsulfanyl-5-oxidanyl-indol-2-yl)-2,2-dimethyl-propanoic acid; 1-chloranyl-4-methyl-benzene

Systemtic Name: 3-(1-tert-butylsulfanyl-5-oxidanyl-indol-2-yl)-2,2-dimethyl-propanoic acid; 1-chloranyl-4-methyl-benzene Openeye Name: 3-(1-tert-butylsulfanyl-5-hydroxy-indol-2-yl)-2,2-dimethyl-propanoic acid; 1-chloro-4-methyl-benzene CAS Name: 3-[1-(tert-butylthio)-5-hydroxy-2-indolyl]-2,2-dimethylpropanoic acid; 1-chloro-4-methylbenzene IUPAC Name: 3-(1-tert-butylsulfanyl-5-hydroxyindol-2-yl)-2,2-dimethylpropanoic acid; 1-chloro-4-methylbenzene Traditional Name: 3-[1-(tert-butylthio)-5-hydroxy-indol-2-yl]-2,2-dimethyl-propionic acid; 1-chloro-4-methyl-benzene Formula: C24H30ClNO3S MolecularWeight: 448.0179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)Cl.CC(C)(C)SN1C2=C(C=C(C=C2)O)C=C1CC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)Cl.CC(C)(C)SN1C2=C(C=C(C=C2)O)C=C1CC(C)(C)C(=O)O

InChI

InChI=1S/C17H23NO3S.C7H7Cl/c1-16(2,3)22-18-12(10-17(4,5)15(20)21)8-11-9-13(19)6-7-14(11)18;1-6-2-4-7(8)5-3-6/h6-9,19H,10H2,1-5H3,(H,20,21);2-5H,1H3