4-(2-phosphonatoethylsulfonyl)-4a,5,8,8a-tetrahydronaphthalene-2-sulfonic acid

Systemtic Name: 4-(2-phosphonatoethylsulfonyl)-4a,5,8,8a-tetrahydronaphthalene-2-sulfonic acid Openeye Name: 4-(2-phosphonatoethylsulfonyl)-4a,5,8,8a-tetrahydronaphthalene-2-sulfonic acid CAS Name: 4-(2-phosphonatoethylsulfonyl)-4a,5,8,8a-tetrahydronaphthalene-2-sulfonic acid IUPAC Name: 4-(2-phosphonatoethylsulfonyl)-4a,5,8,8a-tetrahydronaphthalene-2-sulfonic acid Traditional Name: 4-(2-phosphonatoethylsulfonyl)-4a,5,8,8a-tetrahydronaphthalene-2-sulfonic acid Formula: C12H15O8PS2-2 MolecularWeight: 382.346461

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C=C(C=C2S(=O)(=O)CCP(=O)([O-])[O-])S(=O)(=O)O

Isomeric SMILES

C1C=CCC2C1C=C(C=C2S(=O)(=O)CCP(=O)([O-])[O-])S(=O)(=O)O

InChI

InChI=1S/C12H17O8PS2/c13-21(14,15)5-6-22(16,17)12-8-10(23(18,19)20)7-9-3-1-2-4-11(9)12/h1-2,7-9,11H,3-6H2,(H2,13,14,15)(H,18,19,20)/p-2