5-azanyl-8-[(4-azanyl-2-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)-6-sulfo-anthracene-2-carboxylic acid

Systemtic Name: 5-azanyl-8-[(4-azanyl-2-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)-6-sulfo-anthracene-2-carboxylic acid Openeye Name: 5-amino-8-(4-amino-2-sulfo-anilino)-9,10-dioxo-6-sulfo-anthracene-2-carboxylic acid CAS Name: 5-amino-8-(4-amino-2-sulfoanilino)-9,10-dioxo-6-sulfo-2-anthracenecarboxylic acid IUPAC Name: 5-amino-8-(4-amino-2-sulfoanilino)-9,10-dioxo-6-sulfoanthracene-2-carboxylic acid Traditional Name: 5-amino-8-(4-amino-2-sulfo-anilino)-9,10-diketo-6-sulfo-anthracene-2-carboxylic acid Formula: C21H15N3O10S2 MolecularWeight: 533.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C21H15N3O10S2/c22-9-2-4-12(14(6-9)35(29,30)31)24-13-7-15(36(32,33)34)18(23)17-16(13)20(26)11-5-8(21(27)28)1-3-10(11)19(17)25/h1-7,24H,22-23H2,(H,27,28)(H,29,30,31)(H,32,33,34)