3-dodecanoyl-1-(9-oxidanyl-9-oxidanylidene-nonyl)indole-2-carboxylic acid

Systemtic Name: 3-dodecanoyl-1-(9-oxidanyl-9-oxidanylidene-nonyl)indole-2-carboxylic acid Openeye Name: 3-dodecanoyl-1-(9-hydroxy-9-oxo-nonyl)indole-2-carboxylic acid CAS Name: 1-(9-hydroxy-9-oxononyl)-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 3-dodecanoyl-1-(9-hydroxy-9-oxononyl)indole-2-carboxylic acid Traditional Name: 1-(9-hydroxy-9-keto-nonyl)-3-lauroyl-indole-2-carboxylic acid Formula: C30H45NO5 MolecularWeight: 499.682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45NO5/c1-2-3-4-5-6-7-8-11-14-21-26(32)28-24-19-16-17-20-25(24)31(29(28)30(35)36)23-18-13-10-9-12-15-22-27(33)34/h16-17,19-20H,2-15,18,21-23H2,1H3,(H,33,34)(H,35,36)