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4,5-diacetyloxy-2-methanethioyl-2-(naphthalen-1-ylmethyl)pentanoic acid

4,5-diacetyloxy-2-methanethioyl-2-(naphthalen-1-ylmethyl)pentanoic acid

Systemtic Name:4,5-diacetyloxy-2-methanethioyl-2-(naphthalen-1-ylmethyl)pentanoic acid
Openeye Name:4,5-diacetoxy-2-methanethioyl-2-(1-naphthylmethyl)pentanoic acid
CAS Name:4,5-diacetyloxy-2-methanethioyl-2-(1-naphthalenylmethyl)pentanoic acid
IUPAC Name:4,5-diacetyloxy-2-methanethioyl-2-(naphthalen-1-ylmethyl)pentanoic acid
Traditional Name:4,5-diacetoxy-2-(1-naphthylmethyl)-2-thioformyl-valeric acid
Formula: C21H22O6S
MolecularWeight: 402.46078
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC(CC1=CC=CC2=CC=CC=C21)(C=S)C(=O)O)OC(=O)C


Isomeric SMILES

CC(=O)OCC(CC(CC1=CC=CC2=CC=CC=C21)(C=S)C(=O)O)OC(=O)C


InChI

InChI=1S/C21H22O6S/c1-14(22)26-12-18(27-15(2)23)11-21(13-28,20(24)25)10-17-8-5-7-16-6-3-4-9-19(16)17/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)


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