2-ethylhexyl 3-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylpropanoate

Systemtic Name: 2-ethylhexyl 3-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylpropanoate Openeye Name: 2-ethylhexyl 3-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)sulfanyl]propanoate CAS Name: 3-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)thio]propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)sulfanylpropanoate Traditional Name: 3-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)thio]propionic acid 2-ethylhexyl ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCSC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CCCCC(CC)COC(=O)CCSC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C25H29NO5S/c1-3-5-8-15(4-2)14-31-20(28)11-12-32-19-13-18(27)21-22(23(19)26)25(30)17-10-7-6-9-16(17)24(21)29/h6-7,9-10,13,15,27H,3-5,8,11-12,14,26H2,1-2H3