6-[sulfo-(4-sulfophenyl)amino]-4a,5,8,8a-tetrahydronaphthalene-1,3-disulfonic acid

Systemtic Name: 6-[sulfo-(4-sulfophenyl)amino]-4a,5,8,8a-tetrahydronaphthalene-1,3-disulfonic acid Openeye Name: 6-(N,4-disulfoanilino)-4a,5,8,8a-tetrahydronaphthalene-1,3-disulfonic acid CAS Name: 6-(N,4-disulfoanilino)-4a,5,8,8a-tetrahydronaphthalene-1,3-disulfonic acid IUPAC Name: 6-(N,4-disulfoanilino)-4a,5,8,8a-tetrahydronaphthalene-1,3-disulfonic acid Traditional Name: 6-(N,4-disulfoanilino)-4a,5,8,8a-tetrahydronaphthalene-1,3-disulfonic acid Formula: C16H17NO12S4 MolecularWeight: 543.56568

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)N(C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C=C(CC2C1C(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)N(C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H17NO12S4/c18-30(19,20)13-4-1-11(2-5-13)17(33(27,28)29)12-3-6-15-10(7-12)8-14(31(21,22)23)9-16(15)32(24,25)26/h1-5,8-10,15H,6-7H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)