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

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-(phenylcarbonyl)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-benzoyl-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-benzoyl-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-benzoyl-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-benzoyl-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H13NO6S MolecularWeight: 407.39602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C21H13NO6S/c22-18-15(29(26,27)28)10-14(19(23)11-6-2-1-3-7-11)16-17(18)21(25)13-9-5-4-8-12(13)20(16)24/h1-10H,22H2,(H,26,27,28)