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

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-(phenethylamino)anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-(phenethylamino)anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-(phenethylamino)-2-anthracenesulfonate IUPAC Name: sodium 1-amino-9,10-dioxo-4-(phenethylamino)anthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-(phenethylamino)anthracene-2-sulfonate Formula: C22H17N2NaO5S MolecularWeight: 444.43555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H18N2O5S.Na/c23-20-17(30(27,28)29)12-16(24-11-10-13-6-2-1-3-7-13)18-19(20)22(26)15-9-5-4-8-14(15)21(18)25;/h1-9,12,24H,10-11,23H2,(H,27,28,29);/q;+1/p-1