6-[2-[2,2-dimethyl-4-(4-methylhexyl)thiochromen-6-yl]ethyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[2,2-dimethyl-4-(4-methylhexyl)thiochromen-6-yl]ethyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-[2,2-dimethyl-4-(4-methylhexyl)thiochromen-6-yl]ethyl]pyridine-3-carboxylic acid CAS Name: 6-[2-[2,2-dimethyl-4-(4-methylhexyl)-1-benzothiopyran-6-yl]ethyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[2,2-dimethyl-4-(4-methylhexyl)thiochromen-6-yl]ethyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-[2,2-dimethyl-4-(4-methylhexyl)thiochromen-6-yl]ethyl]nicotinic acid Formula: C26H33NO2S MolecularWeight: 423.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCC1=CC(SC2=C1C=C(C=C2)CCC3=NC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CCC(C)CCCC1=CC(SC2=C1C=C(C=C2)CCC3=NC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C26H33NO2S/c1-5-18(2)7-6-8-20-16-26(3,4)30-24-14-10-19(15-23(20)24)9-12-22-13-11-21(17-27-22)25(28)29/h10-11,13-18H,5-9,12H2,1-4H3,(H,28,29)