4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-1-benzothiopyran-6-yl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-(4-ethylphenyl)-2,2-dimethylthiochromen-6-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethyl]benzoic acid Formula: C28H28O2S MolecularWeight: 428.58572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)CCC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)CCC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C28H28O2S/c1-4-19-7-12-22(13-8-19)25-18-28(2,3)31-26-16-11-21(17-24(25)26)6-5-20-9-14-23(15-10-20)27(29)30/h7-18H,4-6H2,1-3H3,(H,29,30)