21-(4-hydroxyphenyl)sulfanylhenicosan-10-ylcarbamic acid

Systemtic Name: 21-(4-hydroxyphenyl)sulfanylhenicosan-10-ylcarbamic acid Openeye Name: [12-(4-hydroxyphenyl)sulfanyl-1-nonyl-dodecyl]carbamic acid CAS Name: 21-[(4-hydroxyphenyl)thio]heneicosan-10-ylcarbamic acid IUPAC Name: 21-(4-hydroxyphenyl)sulfanylhenicosan-10-ylcarbamic acid Traditional Name: [12-[(4-hydroxyphenyl)thio]-1-nonyl-dodecyl]carbamic acid Formula: C28H49NO3S MolecularWeight: 479.75856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCCCCSC1=CC=C(C=C1)O)NC(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCCCCSC1=CC=C(C=C1)O)NC(=O)O

InChI

InChI=1S/C28H49NO3S/c1-2-3-4-5-9-12-15-18-25(29-28(31)32)19-16-13-10-7-6-8-11-14-17-24-33-27-22-20-26(30)21-23-27/h20-23,25,29-30H,2-19,24H2,1H3,(H,31,32)