6-[9-[ethyl(3-sulfopropyl)amino]-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxyhexanoic acid

Systemtic Name: 6-[9-[ethyl(3-sulfopropyl)amino]-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxyhexanoic acid Openeye Name: 6-[9-[ethyl(3-sulfopropyl)amino]-5-oxo-benzo[a]phenoxazin-2-yl]oxyhexanoic acid CAS Name: 6-[[9-[ethyl(3-sulfopropyl)amino]-5-oxo-2-benzo[a]phenoxazinyl]oxy]hexanoic acid IUPAC Name: 6-[9-[ethyl(3-sulfopropyl)amino]-5-oxobenzo[a]phenoxazin-2-yl]oxyhexanoic acid Traditional Name: 6-[9-[ethyl(3-sulfopropyl)amino]-5-keto-benzo[a]phenoxazin-2-yl]oxyhexanoic acid Formula: C27H30N2O8S MolecularWeight: 542.6007

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)O)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCCCC(=O)O)O2

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCCCC(=O)O)O2

InChI

InChI=1S/C27H30N2O8S/c1-2-29(12-6-14-38(33,34)35)18-8-11-22-24(15-18)37-25-17-23(30)20-10-9-19(16-21(20)27(25)28-22)36-13-5-3-4-7-26(31)32/h8-11,15-17H,2-7,12-14H2,1H3,(H,31,32)(H,33,34,35)