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

Systemtic Name: [7-[2-carboxyethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-bis(3-sulfopropyl)azanium Openeye Name: [7-[2-carboxyethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-bis(3-sulfopropyl)ammonium CAS Name: [7-[2-carboxyethyl(3-sulfopropyl)amino]-3-phenoxazinylidene]-bis(3-sulfopropyl)ammonium IUPAC Name: [7-[2-carboxyethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-bis(3-sulfopropyl)azanium Traditional Name: [7-[2-carboxyethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-bis(3-sulfopropyl)ammonium Formula: C24H32N3O12S3+ MolecularWeight: 650.71878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCCS(=O)(=O)O)CCC(=O)O)OC3=CC(=[N+](CCCS(=O)(=O)O)CCCS(=O)(=O)O)C=CC3=N2

Isomeric SMILES

C1=CC2=C(C=C1N(CCCS(=O)(=O)O)CCC(=O)O)OC3=CC(=[N+](CCCS(=O)(=O)O)CCCS(=O)(=O)O)C=CC3=N2

InChI

InChI=1S/C24H31N3O12S3/c28-24(29)8-12-27(11-3-15-42(36,37)38)19-5-7-21-23(17-19)39-22-16-18(4-6-20(22)25-21)26(9-1-13-40(30,31)32)10-2-14-41(33,34)35/h4-7,16-17H,1-3,8-15H2,(H3-,28,29,30,31,32,33,34,35,36,37,38)/p+1