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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)NC4=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)20-12-6-5-11-19(20)27(24)31)30-21-13-15-7-1-2-8-16(15)17-9-3-4-10-18(17)21;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1