5-bromanyl-8-[(4-bromanyl-7-sulfo-naphthalen-1-yl)methyl]naphthalene-2-sulfonic acid

Systemtic Name: 5-bromanyl-8-[(4-bromanyl-7-sulfo-naphthalen-1-yl)methyl]naphthalene-2-sulfonic acid Openeye Name: 5-bromo-8-[(4-bromo-7-sulfo-1-naphthyl)methyl]naphthalene-2-sulfonic acid CAS Name: 5-bromo-8-[(4-bromo-7-sulfo-1-naphthalenyl)methyl]-2-naphthalenesulfonic acid IUPAC Name: 5-bromo-8-[(4-bromo-7-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid Traditional Name: 5-bromo-8-[(4-bromo-7-sulfo-1-naphthyl)methyl]naphthalene-2-sulfonic acid Formula: C21H14Br2O6S2 MolecularWeight: 586.27026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)O)CC3=C4C=C(C=CC4=C(C=C3)Br)S(=O)(=O)O)Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)O)CC3=C4C=C(C=CC4=C(C=C3)Br)S(=O)(=O)O)Br

InChI

InChI=1S/C21H14Br2O6S2/c22-20-7-1-12(18-10-14(30(24,25)26)3-5-16(18)20)9-13-2-8-21(23)17-6-4-15(11-19(13)17)31(27,28)29/h1-8,10-11H,9H2,(H,24,25,26)(H,27,28,29)