5-benzamido-4-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid

Systemtic Name: 5-benzamido-4-oxidanyl-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid Openeye Name: 5-benzamido-4-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid CAS Name: 5-benzamido-4-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid IUPAC Name: 5-benzamido-4-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid Traditional Name: 5-benzamido-4-hydroxy-1,4,4a,8a-tetrahydronaphthalene-2,7-disulfonic acid Formula: C17H17NO8S2 MolecularWeight: 427.44878

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=C(C=C(C2C(C=C1S(=O)(=O)O)O)NC(=O)C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1C2C=C(C=C(C2C(C=C1S(=O)(=O)O)O)NC(=O)C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C17H17NO8S2/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10/h1-6,8-9,11,15-16,19H,7H2,(H,18,20)(H,21,22,23)(H,24,25,26)