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

Systemtic Name: 2-ethylhexyl 2-[2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl]sulfanylethanoate Openeye Name: 2-ethylhexyl 2-[2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl]sulfanylacetate CAS Name: 2-[[2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl]thio]acetic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-[2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl]sulfanylacetate Traditional Name: 2-[[2-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]phenyl]thio]acetic acid 2-ethylhexyl ester Formula: C30H31NO6S MolecularWeight: 533.63524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CSC1=CC=CC=C1OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCCCC(CC)COC(=O)CSC1=CC=CC=C1OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C30H31NO6S/c1-3-5-10-18(4-2)16-36-25(33)17-38-24-14-9-8-13-22(24)37-23-15-21(32)26-27(28(23)31)30(35)20-12-7-6-11-19(20)29(26)34/h6-9,11-15,18,32H,3-5,10,16-17,31H2,1-2H3