sodium 4-(anthracen-1-ylamino)-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 4-(anthracen-1-ylamino)-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(1-anthrylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(1-anthracenylamino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(anthracen-1-ylamino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(1-anthrylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C28H17N2NaO5S MolecularWeight: 516.49975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)19-10-4-3-9-18(19)27(24)31)30-21-11-5-8-17-12-15-6-1-2-7-16(15)13-20(17)21;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1