3-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]benzoic acid

Systemtic Name: 3-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]benzoic acid Openeye Name: 3-(4,4-dimethylthiochroman-8-yl)selanylbenzoic acid CAS Name: 3-[(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)seleno]benzoic acid IUPAC Name: 3-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]benzoic acid Traditional Name: 3-[(4,4-dimethylthiochroman-8-yl)seleno]benzoic acid Formula: C18H18O2SSe MolecularWeight: 377.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC=C2[Se]C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=CC=C2[Se]C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C18H18O2SSe/c1-18(2)9-10-21-16-14(18)7-4-8-15(16)22-13-6-3-5-12(11-13)17(19)20/h3-8,11H,9-10H2,1-2H3,(H,19,20)