3-bromanyl-7-[(6-bromanyl-5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 3-bromanyl-7-[(6-bromanyl-5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 3-bromo-7-[(6-bromo-5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 3-bromo-7-[[[(6-bromo-5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 3-bromo-7-[(6-bromo-5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 3-bromo-7-[(6-bromo-5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C21H14Br2N2O9S2 MolecularWeight: 662.28186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)Br)S(=O)(=O)O)S(=O)(=O)O)Br)O

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)Br)S(=O)(=O)O)S(=O)(=O)O)Br)O

InChI

InChI=1S/C21H14Br2N2O9S2/c22-17-15(35(29,30)31)7-9-5-11(1-3-13(9)19(17)26)24-21(28)25-12-2-4-14-10(6-12)8-16(36(32,33)34)18(23)20(14)27/h1-8,26-27H,(H2,24,25,28)(H,29,30,31)(H,32,33,34)