3-(2,4-dibutylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid

Systemtic Name: 3-(2,4-dibutylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2,4-dibutylphenoxazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2,4-dibutyl-10-phenoxazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2,4-dibutylphenoxazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2,4-dibutylphenoxazin-10-yl)-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3O2)CCC(C4=NC=CC=N4)S(=O)(=O)O)CCCC

Isomeric SMILES

CCCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3O2)CCC(C4=NC=CC=N4)S(=O)(=O)O)CCCC

InChI

InChI=1S/C27H33N3O4S/c1-3-5-10-20-18-21(11-6-4-2)26-23(19-20)30(22-12-7-8-13-24(22)34-26)17-14-25(35(31,32)33)27-28-15-9-16-29-27/h7-9,12-13,15-16,18-19,25H,3-6,10-11,14,17H2,1-2H3,(H,31,32,33)