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

Systemtic Name: [4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]phenyl] ester Formula: C27H19NO7S MolecularWeight: 501.50726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C27H19NO7S/c1-15-6-12-18(13-7-15)36(32,33)35-17-10-8-16(9-11-17)34-22-14-21(29)23-24(25(22)28)27(31)20-5-3-2-4-19(20)26(23)30/h2-14,29H,28H2,1H3