1-[4-[(E)-1-chloranyl-5-(sulfanylmethyl)icos-11-en-4-yl]oxyphenyl]ethanone

Systemtic Name: 1-[4-[(E)-1-chloranyl-5-(sulfanylmethyl)icos-11-en-4-yl]oxyphenyl]ethanone Openeye Name: 1-[4-[(E)-1-(3-chloropropyl)-2-(sulfanylmethyl)heptadec-8-enoxy]phenyl]ethanone CAS Name: 1-[4-[(E)-1-chloro-5-(mercaptomethyl)eicos-11-en-4-yl]oxyphenyl]ethanone IUPAC Name: 1-[4-[(E)-1-chloro-5-(sulfanylmethyl)icos-11-en-4-yl]oxyphenyl]ethanone Traditional Name: 1-[4-[(E)-1-(3-chloropropyl)-2-(mercaptomethyl)heptadec-8-enoxy]phenyl]ethanone Formula: C29H47ClO2S MolecularWeight: 495.20028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCC(CS)C(CCCCl)OC1=CC=C(C=C1)C(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCC(CS)C(CCCCl)OC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C29H47ClO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-27(24-33)29(18-16-23-30)32-28-21-19-26(20-22-28)25(2)31/h10-11,19-22,27,29,33H,3-9,12-18,23-24H2,1-2H3/b11-10+