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2-(2-dodecylphenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-ethanoic acid

Systemtic Name:	2-(2-dodecylphenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-ethanoic acid
Openeye Name:	2-(2-dodecylphenyl)-2-(2-methoxy-2-oxo-ethyl)sulfanyl-acetic acid
CAS Name:	2-(2-dodecylphenyl)-2-[(2-methoxy-2-oxoethyl)thio]acetic acid
IUPAC Name:	2-(2-dodecylphenyl)-2-(2-methoxy-2-oxoethyl)sulfanylacetic acid
Traditional Name:	2-[(2-keto-2-methoxy-ethyl)thio]-2-(2-laurylphenyl)acetic acid
Formula:	C₂₃H₃₆O₄S
MolecularWeight:	408.59454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SCC(=O)OC

InChI

InChI=1S/C23H36O4S/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-17-20(19)22(23(25)26)28-18-21(24)27-2/h13-14,16-17,22H,3-12,15,18H2,1-2H3,(H,25,26)

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