5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]-1-(6-oxidanyl-6-oxidanylidene-hexyl)indole-2-carboxylic acid

Systemtic Name: 5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]-1-(6-oxidanyl-6-oxidanylidene-hexyl)indole-2-carboxylic acid Openeye Name: 1-(6-hydroxy-6-oxo-hexyl)-5-[3-(4-octylphenoxy)-2-oxo-propoxy]indole-2-carboxylic acid CAS Name: 1-(6-hydroxy-6-oxohexyl)-5-[3-(4-octylphenoxy)-2-oxopropoxy]-2-indolecarboxylic acid IUPAC Name: 1-(6-hydroxy-6-oxohexyl)-5-[3-(4-octylphenoxy)-2-oxopropoxy]indole-2-carboxylic acid Traditional Name: 1-(6-hydroxy-6-keto-hexyl)-5-[2-keto-3-(4-octylphenoxy)propoxy]indole-2-carboxylic acid Formula: C32H41NO7 MolecularWeight: 551.67044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CCCCCC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CCCCCC(=O)O

InChI

InChI=1S/C32H41NO7/c1-2-3-4-5-6-8-11-24-13-15-27(16-14-24)39-22-26(34)23-40-28-17-18-29-25(20-28)21-30(32(37)38)33(29)19-10-7-9-12-31(35)36/h13-18,20-21H,2-12,19,22-23H2,1H3,(H,35,36)(H,37,38)