1-azanyl-9,10-bis(oxidanylidene)-4-(phenanthren-9-ylamino)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-(phenanthren-9-ylamino)anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-(9-phenanthrylamino)anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-(9-phenanthrenylamino)-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-(phenanthren-9-ylamino)anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(9-phenanthrylamino)anthracene-2-sulfonic acid Formula: C28H18N2O5S MolecularWeight: 494.51792

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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

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

InChI

InChI=1S/C28H18N2O5S/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)