3,4-bis(bromanyl)-2-methyl-phenol; naphthalene-1-sulfonic acid

Systemtic Name: 3,4-bis(bromanyl)-2-methyl-phenol; naphthalene-1-sulfonic acid Openeye Name: 3,4-dibromo-2-methyl-phenol; naphthalene-1-sulfonic acid CAS Name: 3,4-dibromo-2-methylphenol; 1-naphthalenesulfonic acid IUPAC Name: 3,4-dibromo-2-methylphenol; naphthalene-1-sulfonic acid Traditional Name: 3,4-dibromo-2-methyl-phenol; naphthalene-1-sulfonic acid Formula: C17H14Br2O4S MolecularWeight: 474.16366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Br)Br)O.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1Br)Br)O.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C10H8O3S.C7H6Br2O/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-4-6(10)3-2-5(8)7(4)9/h1-7H,(H,11,12,13);2-3,10H,1H3