(5E)-9-(diethylamino)-5-(6-oxidanyl-6-oxidanylidene-hexyl)azaniumylidene-benzo[a]phenoxazine-3-sulfonate

Systemtic Name: (5E)-9-(diethylamino)-5-(6-oxidanyl-6-oxidanylidene-hexyl)azaniumylidene-benzo[a]phenoxazine-3-sulfonate Openeye Name: (5E)-9-(diethylamino)-5-(6-hydroxy-6-oxo-hexyl)iminio-benzo[a]phenoxazine-3-sulfonate CAS Name: (5E)-9-(diethylamino)-5-(6-hydroxy-6-oxohexyl)iminio-3-benzo[a]phenoxazinesulfonate IUPAC Name: (5E)-9-(diethylamino)-5-(6-hydroxy-6-oxohexyl)azaniumylidenebenzo[a]phenoxazine-3-sulfonate Traditional Name: (5E)-9-(diethylamino)-5-(6-hydroxy-6-keto-hexyl)iminio-benzo[a]phenoxazine-3-sulfonate Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C(=[NH+]CCCCCC(=O)O)C=C3O2

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])/C(=[NH+]/CCCCCC(=O)O)/C=C3O2

InChI

InChI=1S/C26H29N3O6S/c1-3-29(4-2)17-9-12-21-23(14-17)35-24-16-22(27-13-7-5-6-8-25(30)31)20-15-18(36(32,33)34)10-11-19(20)26(24)28-21/h9-12,14-16H,3-8,13H2,1-2H3,(H,30,31)(H,32,33,34)/b27-22+