4-azanyl-1-(ethylamino)-5,6-bis(oxidanylidene)phenanthrene-3-sulfonic acid

Systemtic Name: 4-azanyl-1-(ethylamino)-5,6-bis(oxidanylidene)phenanthrene-3-sulfonic acid Openeye Name: 4-amino-1-(ethylamino)-5,6-dioxo-phenanthrene-3-sulfonic acid CAS Name: 4-amino-1-(ethylamino)-5,6-dioxo-3-phenanthrenesulfonic acid IUPAC Name: 4-amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid Traditional Name: 4-amino-1-(ethylamino)-5,6-diketo-phenanthrene-3-sulfonic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C2=C1C=CC3=C2C(=O)C(=O)C=C3)N)S(=O)(=O)O

Isomeric SMILES

CCNC1=CC(=C(C2=C1C=CC3=C2C(=O)C(=O)C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C16H14N2O5S/c1-2-18-10-7-12(24(21,22)23)15(17)14-9(10)5-3-8-4-6-11(19)16(20)13(8)14/h3-7,18H,2,17H2,1H3,(H,21,22,23)