2-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-pentanoic acid Openeye Name: 2-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-pentanoic acid CAS Name: 2-[(4-tert-butylphenyl)methylsulfonyl]-4-methylpentanoic acid IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfonyl]-4-methylpentanoic acid Traditional Name: 2-(4-tert-butylbenzyl)sulfonyl-4-methyl-valeric acid Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)S(=O)(=O)CC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)O)S(=O)(=O)CC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C17H26O4S/c1-12(2)10-15(16(18)19)22(20,21)11-13-6-8-14(9-7-13)17(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H,18,19)