2-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)diazenyl]benzoic acid

Systemtic Name: 2-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)diazenyl]benzoic acid Openeye Name: 2-(4,4-dimethylthiochroman-6-yl)azobenzoic acid CAS Name: 2-[(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)azo]benzoic acid IUPAC Name: 2-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)diazenyl]benzoic acid Traditional Name: 2-(4,4-dimethylthiochroman-6-yl)azobenzoic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)N=NC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)N=NC3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C18H18N2O2S/c1-18(2)9-10-23-16-8-7-12(11-14(16)18)19-20-15-6-4-3-5-13(15)17(21)22/h3-8,11H,9-10H2,1-2H3,(H,21,22)