disodium 1-azanyl-4-[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-4-(4-amino-9,10-diketo-3-sulfonato-1-anthryl)-9,10-diketo-anthracene-2-sulfonate Formula: C28H14N2Na2O10S2 MolecularWeight: 648.5277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3C4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3C4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C28H16N2O10S2.2Na/c29-23-17(41(35,36)37)9-15(19-21(23)27(33)13-7-3-1-5-11(13)25(19)31)16-10-18(42(38,39)40)24(30)22-20(16)26(32)12-6-2-4-8-14(12)28(22)34;;/h1-10H,29-30H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2