3-[5-(acetyloxymethyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[5-(acetyloxymethyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[5-(acetoxymethyl)-1,4-dioxo-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[5-(acetyloxymethyl)-1,4-dioxo-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[5-(acetyloxymethyl)-1,4-dioxonaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[5-(acetoxymethyl)-1,4-diketo-2-naphthyl]thio]propionic acid Formula: C16H14O6S MolecularWeight: 334.34376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC2=C1C(=O)C=C(C2=O)SCCC(=O)O

Isomeric SMILES

CC(=O)OCC1=CC=CC2=C1C(=O)C=C(C2=O)SCCC(=O)O

InChI

InChI=1S/C16H14O6S/c1-9(17)22-8-10-3-2-4-11-15(10)12(18)7-13(16(11)21)23-6-5-14(19)20/h2-4,7H,5-6,8H2,1H3,(H,19,20)