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

Systemtic Name: 1-azanyl-4-benzamido-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-benzamido-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-benzamido-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-benzamido-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-benzamido-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H14N2O6S MolecularWeight: 422.41066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C21H14N2O6S/c22-18-15(30(27,28)29)10-14(23-21(26)11-6-2-1-3-7-11)16-17(18)20(25)13-9-5-4-8-12(13)19(16)24/h1-10H,22H2,(H,23,26)(H,27,28,29)