6-[[9-(diethylamino)-3-sulfo-benzo[a]phenoxazin-5-ylidene]amino]hexanoic acid

Systemtic Name: 6-[[9-(diethylamino)-3-sulfo-benzo[a]phenoxazin-5-ylidene]amino]hexanoic acid Openeye Name: 6-[[9-(diethylamino)-3-sulfo-benzo[a]phenoxazin-5-ylidene]amino]hexanoic acid CAS Name: 6-[[9-(diethylamino)-3-sulfo-5-benzo[a]phenoxazinylidene]amino]hexanoic acid IUPAC Name: 6-[[9-(diethylamino)-3-sulfobenzo[a]phenoxazin-5-ylidene]amino]hexanoic acid Traditional Name: 6-[[9-(diethylamino)-3-sulfo-benzo[a]phenoxazin-5-ylidene]amino]hexanoic acid Formula: C26H29N3O6S MolecularWeight: 511.58996

Click to see the large picture

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(=NCCCCCC(=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(=NCCCCCC(=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)