3-(4-carboxynonan-5-ylsulfanyl)-2-propyl-heptanoic acid

Systemtic Name: 3-(4-carboxynonan-5-ylsulfanyl)-2-propyl-heptanoic acid Openeye Name: 3-(1-butyl-2-carboxy-pentyl)sulfanyl-2-propyl-heptanoic acid CAS Name: 3-(4-carboxynonan-5-ylthio)-2-propylheptanoic acid IUPAC Name: 3-(4-carboxynonan-5-ylsulfanyl)-2-propylheptanoic acid Traditional Name: 3-[(1-butyl-2-carboxy-pentyl)thio]-2-propyl-enanthic acid Formula: C20H38O4S MolecularWeight: 374.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCC)C(=O)O)SC(CCCC)C(CCC)C(=O)O

Isomeric SMILES

CCCCC(C(CCC)C(=O)O)SC(CCCC)C(CCC)C(=O)O

InChI

InChI=1S/C20H38O4S/c1-5-9-13-17(15(11-7-3)19(21)22)25-18(14-10-6-2)16(12-8-4)20(23)24/h15-18H,5-14H2,1-4H3,(H,21,22)(H,23,24)