2-ethylhexyl 2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate

Systemtic Name: 2-ethylhexyl 2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate Openeye Name: 2-ethylhexyl 2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)sulfanyl]acetate CAS Name: 2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)thio]acetic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)sulfanylacetate Traditional Name: 2-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)thio]acetic acid 2-ethylhexyl ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CSC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CCCCC(CC)COC(=O)CSC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C24H27NO5S/c1-3-5-8-14(4-2)12-30-19(27)13-31-18-11-17(26)20-21(22(18)25)24(29)16-10-7-6-9-15(16)23(20)28/h6-7,9-11,14,26H,3-5,8,12-13,25H2,1-2H3