3-dodecanoyloxy-1-(8-oxidanyl-8-oxidanylidene-octyl)indole-2-carboxylic acid

Systemtic Name: 3-dodecanoyloxy-1-(8-oxidanyl-8-oxidanylidene-octyl)indole-2-carboxylic acid Openeye Name: 3-dodecanoyloxy-1-(8-hydroxy-8-oxo-octyl)indole-2-carboxylic acid CAS Name: 1-(8-hydroxy-8-oxooctyl)-3-(1-oxododecoxy)-2-indolecarboxylic acid IUPAC Name: 3-dodecanoyloxy-1-(8-hydroxy-8-oxooctyl)indole-2-carboxylic acid Traditional Name: 1-(8-hydroxy-8-keto-octyl)-3-lauroyloxy-indole-2-carboxylic acid Formula: C29H43NO6 MolecularWeight: 501.65482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=C(N(C2=CC=CC=C21)CCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=C(N(C2=CC=CC=C21)CCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C29H43NO6/c1-2-3-4-5-6-7-8-11-14-21-26(33)36-28-23-18-15-16-19-24(23)30(27(28)29(34)35)22-17-12-9-10-13-20-25(31)32/h15-16,18-19H,2-14,17,20-22H2,1H3,(H,31,32)(H,34,35)