2,2-dimethyl-5-(4,6,7-trimethyl-5-oxidanyl-1,3-benzoxathiol-2-yl)pentanoic acid

Systemtic Name: 2,2-dimethyl-5-(4,6,7-trimethyl-5-oxidanyl-1,3-benzoxathiol-2-yl)pentanoic acid Openeye Name: 5-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)-2,2-dimethyl-pentanoic acid CAS Name: 5-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)-2,2-dimethylpentanoic acid IUPAC Name: 5-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)-2,2-dimethylpentanoic acid Traditional Name: 5-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)-2,2-dimethyl-valeric acid Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1O)C)SC(O2)CCCC(C)(C)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C(=C1O)C)SC(O2)CCCC(C)(C)C(=O)O)C

InChI

InChI=1S/C17H24O4S/c1-9-10(2)14-15(11(3)13(9)18)22-12(21-14)7-6-8-17(4,5)16(19)20/h12,18H,6-8H2,1-5H3,(H,19,20)