3-[8-(2-carboxyethylsulfanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[8-(2-carboxyethylsulfanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[8-(2-carboxyethylsulfanyl)-9,10-dioxo-1-anthryl]sulfanyl]propanoic acid CAS Name: 3-[[8-(2-carboxyethylthio)-9,10-dioxo-1-anthracenyl]thio]propanoic acid IUPAC Name: 3-[8-(2-carboxyethylsulfanyl)-9,10-dioxoanthracen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[8-(2-carboxyethylthio)-9,10-diketo-1-anthryl]thio]propionic acid Formula: C20H16O6S2 MolecularWeight: 416.46744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCCC(=O)O)C(=O)C3=C(C2=O)C=CC=C3SCCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)SCCC(=O)O)C(=O)C3=C(C2=O)C=CC=C3SCCC(=O)O

InChI

InChI=1S/C20H16O6S2/c21-15(22)7-9-27-13-5-1-3-11-17(13)20(26)18-12(19(11)25)4-2-6-14(18)28-10-8-16(23)24/h1-6H,7-10H2,(H,21,22)(H,23,24)