2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-(3-sulfopropyl)azanium

Systemtic Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-(3-sulfopropyl)azanium Openeye Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-(3-sulfopropyl)ammonium CAS Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]-3-phenoxazinylidene]-(3-sulfopropyl)ammonium IUPAC Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-(3-sulfopropyl)azanium Traditional Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-(3-sulfopropyl)ammonium Formula: C23H30N3O9S2+ MolecularWeight: 556.629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)O)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCCS(=O)(=O)O)CCC(=O)O)C=C3O2

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCCS(=O)(=O)O)CCC(=O)O)C=C3O2

InChI

InChI=1S/C23H29N3O9S2/c1-2-25(10-3-13-36(29,30)31)17-5-7-19-21(15-17)35-22-16-18(6-8-20(22)24-19)26(12-9-23(27)28)11-4-14-37(32,33)34/h5-8,15-16H,2-4,9-14H2,1H3,(H2-,27,28,29,30,31,32,33,34)/p+1