3-(3-propan-2-yl-4-sulfino-phenyl)propanoic acid

Systemtic Name: 3-(3-propan-2-yl-4-sulfino-phenyl)propanoic acid Openeye Name: 3-(3-isopropyl-4-sulfino-phenyl)propanoic acid CAS Name: 3-(3-propan-2-yl-4-sulfinophenyl)propanoic acid IUPAC Name: 3-(3-propan-2-yl-4-sulfinophenyl)propanoic acid Traditional Name: 3-(3-isopropyl-4-sulfino-phenyl)propionic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-8(2)10-7-9(4-6-12(13)14)3-5-11(10)17(15)16/h3,5,7-8H,4,6H2,1-2H3,(H,13,14)(H,15,16)