4-[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]sulfanylpyridine-2-carboxylic acid

Systemtic Name: 4-[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]sulfanylpyridine-2-carboxylic acid Openeye Name: 4-[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]sulfanylpyridine-2-carboxylic acid CAS Name: 4-[[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]thio]-2-pyridinecarboxylic acid IUPAC Name: 4-[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]sulfanylpyridine-2-carboxylic acid Traditional Name: 4-[[3-(2-carboxyethyl)-2-(8-phenyloctyl)phenyl]thio]picolinic acid Formula: C29H33NO4S MolecularWeight: 491.64162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=C(C=CC=C2SC3=CC(=NC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=C(C=CC=C2SC3=CC(=NC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C29H33NO4S/c31-28(32)18-17-23-14-10-16-27(35-24-19-20-30-26(21-24)29(33)34)25(23)15-9-4-2-1-3-6-11-22-12-7-5-8-13-22/h5,7-8,10,12-14,16,19-21H,1-4,6,9,11,15,17-18H2,(H,31,32)(H,33,34)