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

Systemtic Name: 4-[2-[2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethyl]benzoic acid CAS Name: 4-[2-[2,2-dimethyl-4-(4-methylphenyl)-1-benzothiopyran-6-yl]ethyl]benzoic acid IUPAC Name: 4-[2-[2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethyl]benzoic acid Formula: C27H26O2S MolecularWeight: 414.55914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)CCC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)CCC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C27H26O2S/c1-18-4-11-21(12-5-18)24-17-27(2,3)30-25-15-10-20(16-23(24)25)7-6-19-8-13-22(14-9-19)26(28)29/h4-5,8-17H,6-7H2,1-3H3,(H,28,29)