sodium 11,11a,12,13,13a,14-hexahydro-7H-anthra[2,3-g]isoquinoline-2-sulfonate

Systemtic Name: sodium 11,11a,12,13,13a,14-hexahydro-7H-anthra[2,3-g]isoquinoline-2-sulfonate Openeye Name: sodium 11,11a,12,13,13a,14-hexahydro-7H-anthra[2,3-g]isoquinoline-2-sulfonate CAS Name: sodium 11,11a,12,13,13a,14-hexahydro-7H-anthra[2,3-g]isoquinoline-2-sulfonate IUPAC Name: sodium 11,11a,12,13,13a,14-hexahydro-7H-anthra[2,3-g]isoquinoline-2-sulfonate Traditional Name: sodium 11,11a,12,13,13a,14-hexahydro-7H-anthr[2,3-g]isoquinoline-2-sulfonate Formula: C21H20NNaO3S MolecularWeight: 389.44317

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C2C1CC3=C(C2)C=C4C=C5C=CN(C=C5CC4C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C=CC=C2C1CC3=C(C2)C=C4C=C5C=CN(C=C5CC4C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H21NO3S.Na/c23-26(24,25)22-6-5-16-9-19-10-17-7-14-3-1-2-4-15(14)8-18(17)11-20(19)12-21(16)13-22;/h1-3,5-6,9-10,13,15,20H,4,7-8,11-12H2,(H,23,24,25);/q;+1/p-1