butyl 2-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]acetate CAS Name: 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)thio]acetic acid butyl ester IUPAC Name: butyl 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-dihydroxy-10-keto-9H-anthracen-9-yl)thio]acetic acid butyl ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

Isomeric SMILES

CCCCOC(=O)CSC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

InChI

InChI=1S/C20H20O5S/c1-2-3-10-25-16(23)11-26-20-12-6-4-8-14(21)17(12)19(24)18-13(20)7-5-9-15(18)22/h4-9,20-22H,2-3,10-11H2,1H3