butyl 3-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]propanoate

Systemtic Name: butyl 3-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]propanoate Openeye Name: butyl 3-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoate CAS Name: 3-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)thio]propanoic acid butyl ester IUPAC Name: butyl 3-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoate Traditional Name: 3-[(4,5-dihydroxy-10-keto-9H-anthracen-9-yl)thio]propionic acid butyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCSC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

Isomeric SMILES

CCCCOC(=O)CCSC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

InChI

InChI=1S/C21H22O5S/c1-2-3-11-26-17(24)10-12-27-21-13-6-4-8-15(22)18(13)20(25)19-14(21)7-5-9-16(19)23/h4-9,21-23H,2-3,10-12H2,1H3