3-dodecanoyl-1-(7-oxidanyl-7-oxidanylidene-heptyl)indole-2-carboxylic acid

Systemtic Name: 3-dodecanoyl-1-(7-oxidanyl-7-oxidanylidene-heptyl)indole-2-carboxylic acid Openeye Name: 3-dodecanoyl-1-(7-hydroxy-7-oxo-heptyl)indole-2-carboxylic acid CAS Name: 1-(7-hydroxy-7-oxoheptyl)-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 3-dodecanoyl-1-(7-hydroxy-7-oxoheptyl)indole-2-carboxylic acid Traditional Name: 1-(7-hydroxy-7-keto-heptyl)-3-lauroyl-indole-2-carboxylic acid Formula: C28H41NO5 MolecularWeight: 471.62884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C28H41NO5/c1-2-3-4-5-6-7-8-9-12-19-24(30)26-22-17-14-15-18-23(22)29(27(26)28(33)34)21-16-11-10-13-20-25(31)32/h14-15,17-18H,2-13,16,19-21H2,1H3,(H,31,32)(H,33,34)