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

Systemtic Name: [4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl] 2-ethylhexanoate Openeye Name: [4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl] ester IUPAC Name: [4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [4-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]phenyl] ester Formula: C28H27NO6 MolecularWeight: 473.51708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCCCC(CC)C(=O)OC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C28H27NO6/c1-3-5-8-16(4-2)28(33)35-18-13-11-17(12-14-18)34-22-15-21(30)23-24(25(22)29)27(32)20-10-7-6-9-19(20)26(23)31/h6-7,9-16,30H,3-5,8,29H2,1-2H3