3-[[2-(6-ethoxy-6-oxidanylidene-hexoxy)-5-oxidanylidene-benzo[a]phenoxazin-9-yl]-ethyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-(6-ethoxy-6-oxidanylidene-hexoxy)-5-oxidanylidene-benzo[a]phenoxazin-9-yl]-ethyl-amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(6-ethoxy-6-oxo-hexoxy)-5-oxo-benzo[a]phenoxazin-9-yl]-ethyl-amino]propane-1-sulfonic acid CAS Name: 3-[[2-(6-ethoxy-6-oxohexoxy)-5-oxo-9-benzo[a]phenoxazinyl]-ethylamino]-1-propanesulfonic acid IUPAC Name: 3-[[2-(6-ethoxy-6-oxohexoxy)-5-oxobenzo[a]phenoxazin-9-yl]-ethylamino]propane-1-sulfonic acid Traditional Name: 3-[[2-(6-ethoxy-6-keto-hexoxy)-5-keto-benzo[a]phenoxazin-9-yl]-ethyl-amino]propane-1-sulfonic acid Formula: C29H34N2O8S MolecularWeight: 570.65386

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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)OCC)O2

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O8S/c1-3-31(14-8-16-40(34,35)36)20-10-13-24-26(17-20)39-27-19-25(32)22-12-11-21(18-23(22)29(27)30-24)38-15-7-5-6-9-28(33)37-4-2/h10-13,17-19H,3-9,14-16H2,1-2H3,(H,34,35,36)