trisodium 4-[[4,5-bis(azanyl)-9,10-bis(oxidanylidene)-2-sulfonato-anthracen-1-yl]amino]-9,10-bis(oxidanylidene)anthracene-1,2-disulfonate

Systemtic Name: trisodium 4-[[4,5-bis(azanyl)-9,10-bis(oxidanylidene)-2-sulfonato-anthracen-1-yl]amino]-9,10-bis(oxidanylidene)anthracene-1,2-disulfonate Openeye Name: trisodium 4-[(4,5-diamino-9,10-dioxo-2-sulfonato-1-anthryl)amino]-9,10-dioxo-anthracene-1,2-disulfonate CAS Name: trisodium 4-[(4,5-diamino-9,10-dioxo-2-sulfonato-1-anthracenyl)amino]-9,10-dioxoanthracene-1,2-disulfonate IUPAC Name: trisodium 4-[(4,5-diamino-9,10-dioxo-2-sulfonatoanthracen-1-yl)amino]-9,10-dioxoanthracene-1,2-disulfonate Traditional Name: trisodium 4-[(4,5-diamino-9,10-diketo-2-sulfonato-1-anthryl)amino]-9,10-diketo-anthracene-1,2-disulfonate Formula: C28H14N3Na3O13S3 MolecularWeight: 765.58737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C5=C4C(=O)C6=C(C5=O)C(=CC=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C5=C4C(=O)C6=C(C5=O)C(=CC=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H17N3O13S3.3Na/c29-13-7-3-6-12-18(13)27(35)19-14(30)8-16(45(36,37)38)23(21(19)26(12)34)31-15-9-17(46(39,40)41)28(47(42,43)44)22-20(15)24(32)10-4-1-2-5-11(10)25(22)33;;;/h1-9,31H,29-30H2,(H,36,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3