7-acetamido-1,4,4a,8a-tetrahydronaphthalene-1,5-disulfonic acid

Systemtic Name: 7-acetamido-1,4,4a,8a-tetrahydronaphthalene-1,5-disulfonic acid Openeye Name: 7-acetamido-1,4,4a,8a-tetrahydronaphthalene-1,5-disulfonic acid CAS Name: 7-acetamido-1,4,4a,8a-tetrahydronaphthalene-1,5-disulfonic acid IUPAC Name: 7-acetamido-1,4,4a,8a-tetrahydronaphthalene-1,5-disulfonic acid Traditional Name: 7-acetamido-1,4,4a,8a-tetrahydronaphthalene-1,5-disulfonic acid Formula: C12H15NO7S2 MolecularWeight: 349.38

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2C(CC=CC2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC2C(CC=CC2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C12H15NO7S2/c1-7(14)13-8-5-10-9(12(6-8)22(18,19)20)3-2-4-11(10)21(15,16)17/h2,4-6,9-11H,3H2,1H3,(H,13,14)(H,15,16,17)(H,18,19,20)