4-(7-methyl-3-oxidanylidene-phenoxazin-2-yl)-5-octadecoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-(7-methyl-3-oxidanylidene-phenoxazin-2-yl)-5-octadecoxy-5-oxidanylidene-pentanoic acid Openeye Name: 4-(7-methyl-3-oxo-phenoxazin-2-yl)-5-octadecoxy-5-oxo-pentanoic acid CAS Name: 4-(7-methyl-3-oxo-2-phenoxazinyl)-5-octadecoxy-5-oxopentanoic acid IUPAC Name: 4-(7-methyl-3-oxophenoxazin-2-yl)-5-octadecoxy-5-oxopentanoic acid Traditional Name: 5-keto-4-(3-keto-7-methyl-phenoxazin-2-yl)-5-stearyloxy-valeric acid Formula: C36H51NO6 MolecularWeight: 593.79324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)O)C1=CC2=NC3=C(C=C(C=C3)C)OC2=CC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)O)C1=CC2=NC3=C(C=C(C=C3)C)OC2=CC1=O

InChI

InChI=1S/C36H51NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-42-36(41)28(20-22-35(39)40)29-25-31-34(26-32(29)38)43-33-24-27(2)19-21-30(33)37-31/h19,21,24-26,28H,3-18,20,22-23H2,1-2H3,(H,39,40)