6-[[9-(diethylamino)-11-sulfo-benzo[a]phenoxazin-5-ylidene]amino]hexanoic acid

Systemtic Name: 6-[[9-(diethylamino)-11-sulfo-benzo[a]phenoxazin-5-ylidene]amino]hexanoic acid Openeye Name: 6-[[9-(diethylamino)-11-sulfo-benzo[a]phenoxazin-5-ylidene]amino]hexanoic acid CAS Name: 6-[[9-(diethylamino)-11-sulfo-5-benzo[a]phenoxazinylidene]amino]hexanoic acid IUPAC Name: 6-[[9-(diethylamino)-11-sulfobenzo[a]phenoxazin-5-ylidene]amino]hexanoic acid Traditional Name: 6-[[9-(diethylamino)-11-sulfo-benzo[a]phenoxazin-5-ylidene]amino]hexanoic acid Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C(=C1)S(=O)(=O)O)N=C3C4=CC=CC=C4C(=NCCCCCC(=O)O)C=C3O2

Isomeric SMILES

CCN(CC)C1=CC2=C(C(=C1)S(=O)(=O)O)N=C3C4=CC=CC=C4C(=NCCCCCC(=O)O)C=C3O2

InChI

InChI=1S/C26H29N3O6S/c1-3-29(4-2)17-14-21-26(23(15-17)36(32,33)34)28-25-19-11-8-7-10-18(19)20(16-22(25)35-21)27-13-9-5-6-12-24(30)31/h7-8,10-11,14-16H,3-6,9,12-13H2,1-2H3,(H,30,31)(H,32,33,34)