7-[2-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-2-propanethioyl-hydrazinyl]heptanoic acid

Systemtic Name: 7-[2-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-2-propanethioyl-hydrazinyl]heptanoic acid Openeye Name: 7-[2-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-2-propanethioyl-hydrazino]heptanoic acid CAS Name: 7-[2-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-2-(1-sulfanylidenepropyl)hydrazinyl]heptanoic acid IUPAC Name: 7-[2-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-2-propanethioylhydrazinyl]heptanoic acid Traditional Name: 7-[N'-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-N'-propanethioyl-hydrazino]enanthic acid Formula: C24H40N2O3S MolecularWeight: 436.651

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C1=CC=C(C=C1)N(C(=S)CC)NCCCCCCC(=O)O)O

Isomeric SMILES

CCCCC(C(C)(C)C1=CC=C(C=C1)N(C(=S)CC)NCCCCCCC(=O)O)O

InChI

InChI=1S/C24H40N2O3S/c1-5-7-12-21(27)24(3,4)19-14-16-20(17-15-19)26(22(30)6-2)25-18-11-9-8-10-13-23(28)29/h14-17,21,25,27H,5-13,18H2,1-4H3,(H,28,29)