1-(4-dimethylaminophenyl)-3-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid

Systemtic Name: 1-(4-dimethylaminophenyl)-3-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid Openeye Name: 1-(4-dimethylaminophenyl)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid CAS Name: 1-(4-dimethylaminophenyl)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid IUPAC Name: 1-(4-dimethylaminophenyl)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid Traditional Name: 1-(4-dimethylaminophenyl)-3-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,6-disulfonic acid Formula: C18H21NO7S2 MolecularWeight: 427.49184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C3C=CC(=CC3CC(=C2S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C3C=CC(=CC3CC(=C2S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C18H21NO7S2/c1-19(2)13-5-3-11(4-6-13)17-15-8-7-14(27(21,22)23)9-12(15)10-16(20)18(17)28(24,25)26/h3-9,12,15,17,20H,10H2,1-2H3,(H,21,22,23)(H,24,25,26)