5-[2-(4-bromophenyl)-2-methyl-1,3-dithian-4-yl]pentanoic acid

Systemtic Name: 5-[2-(4-bromophenyl)-2-methyl-1,3-dithian-4-yl]pentanoic acid Openeye Name: 5-[2-(4-bromophenyl)-2-methyl-1,3-dithian-4-yl]pentanoic acid CAS Name: 5-[2-(4-bromophenyl)-2-methyl-1,3-dithian-4-yl]pentanoic acid IUPAC Name: 5-[2-(4-bromophenyl)-2-methyl-1,3-dithian-4-yl]pentanoic acid Traditional Name: 5-[2-(4-bromophenyl)-2-methyl-1,3-dithian-4-yl]valeric acid Formula: C16H21BrO2S2 MolecularWeight: 389.37074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(SCCC(S1)CCCCC(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1(SCCC(S1)CCCCC(=O)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrO2S2/c1-16(12-6-8-13(17)9-7-12)20-11-10-14(21-16)4-2-3-5-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H,18,19)