3-[[9-(diethylamino)-3-sulfo-benzo[a]phenoxazin-5-ylidene]amino]propanoic acid

Systemtic Name: 3-[[9-(diethylamino)-3-sulfo-benzo[a]phenoxazin-5-ylidene]amino]propanoic acid Openeye Name: 3-[[9-(diethylamino)-3-sulfo-benzo[a]phenoxazin-5-ylidene]amino]propanoic acid CAS Name: 3-[[9-(diethylamino)-3-sulfo-5-benzo[a]phenoxazinylidene]amino]propanoic acid IUPAC Name: 3-[[9-(diethylamino)-3-sulfobenzo[a]phenoxazin-5-ylidene]amino]propanoic acid Traditional Name: 3-[[9-(diethylamino)-3-sulfo-benzo[a]phenoxazin-5-ylidene]amino]propionic acid Formula: C23H23N3O6S MolecularWeight: 469.51022

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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(=NCCC(=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(=NCCC(=O)O)C=C3O2

InChI

InChI=1S/C23H23N3O6S/c1-3-26(4-2)14-5-8-18-20(11-14)32-21-13-19(24-10-9-22(27)28)17-12-15(33(29,30)31)6-7-16(17)23(21)25-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,28)(H,29,30,31)