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

Systemtic Name: 3-[ethyl-[5-oxidanylidene-2-(6-oxidanylidene-6-phenylmethoxy-hexoxy)benzo[a]phenoxazin-9-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(6-benzyloxy-6-oxo-hexoxy)-5-oxo-benzo[a]phenoxazin-9-yl]-ethyl-amino]propane-1-sulfonic acid CAS Name: 3-[ethyl-[5-oxo-2-(6-oxo-6-phenylmethoxyhexoxy)-9-benzo[a]phenoxazinyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[ethyl-[5-oxo-2-(6-oxo-6-phenylmethoxyhexoxy)benzo[a]phenoxazin-9-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-(6-benzoxy-6-keto-hexoxy)-5-keto-benzo[a]phenoxazin-9-yl]-ethyl-amino]propane-1-sulfonic acid Formula: C34H36N2O8S MolecularWeight: 632.72324

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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)OCC5=CC=CC=C5)O2

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCCCC(=O)OCC5=CC=CC=C5)O2

InChI

InChI=1S/C34H36N2O8S/c1-2-36(17-9-19-45(39,40)41)25-13-16-29-31(20-25)44-32-22-30(37)27-15-14-26(21-28(27)34(32)35-29)42-18-8-4-7-12-33(38)43-23-24-10-5-3-6-11-24/h3,5-6,10-11,13-16,20-22H,2,4,7-9,12,17-19,23H2,1H3,(H,39,40,41)