sodium azanyl 4-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-9,10-bis(oxidanylidene)anthracene-1-sulfonate

Systemtic Name: sodium azanyl 4-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-9,10-bis(oxidanylidene)anthracene-1-sulfonate Openeye Name: sodium amino 4-[(4-amino-9,10-dioxo-1-anthryl)amino]-9,10-dioxo-anthracene-1-sulfonate CAS Name: sodium 4-[(4-amino-9,10-dioxo-1-anthracenyl)amino]-9,10-dioxo-1-anthracenesulfonic acid amino ester IUPAC Name: sodium amino 4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracene-1-sulfonate Traditional Name: sodium 4-[(4-amino-9,10-diketo-1-anthryl)amino]-9,10-diketo-anthracene-1-sulfonic acid amino ester Formula: C28H17N3NaO7S+ MolecularWeight: 562.50525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=C5C(=C(C=C4)S(=O)(=O)ON)C(=O)C6=CC=CC=C6C5=O)N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=C5C(=C(C=C4)S(=O)(=O)ON)C(=O)C6=CC=CC=C6C5=O)N.[Na+]

InChI

InChI=1S/C28H17N3O7S.Na/c29-17-9-10-18(22-21(17)25(32)13-5-1-2-6-14(13)26(22)33)31-19-11-12-20(39(36,37)38-30)24-23(19)27(34)15-7-3-4-8-16(15)28(24)35;/h1-12,31H,29-30H2;/q;+1