4a,5,8,8a-tetrahydronaphthalene-1,3,6-trisulfonic acid

Systemtic Name: 4a,5,8,8a-tetrahydronaphthalene-1,3,6-trisulfonic acid Openeye Name: 4a,5,8,8a-tetrahydronaphthalene-1,3,6-trisulfonic acid CAS Name: 4a,5,8,8a-tetrahydronaphthalene-1,3,6-trisulfonic acid IUPAC Name: 4a,5,8,8a-tetrahydronaphthalene-1,3,6-trisulfonic acid Traditional Name: 4a,5,8,8a-tetrahydronaphthalene-1,3,6-trisulfonic acid Formula: C10H12O9S3 MolecularWeight: 372.39188

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C=C(CC2C1C(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H12O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1,4-6,9H,2-3H2,(H,11,12,13)(H,14,15,16)(H,17,18,19)