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

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-(phenethylamino)anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-(phenethylamino)anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-(phenethylamino)-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-(phenethylamino)anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(phenethylamino)anthracene-2-sulfonic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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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

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C22H18N2O5S/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)