dodecyl 9-cyano-9H-xanthene-2-carboxylate

Systemtic Name: dodecyl 9-cyano-9H-xanthene-2-carboxylate Openeye Name: dodecyl 9-cyano-9H-xanthene-2-carboxylate CAS Name: 9-cyano-9H-xanthene-2-carboxylic acid dodecyl ester IUPAC Name: dodecyl 9-cyano-9H-xanthene-2-carboxylate Traditional Name: 9-cyano-9H-xanthene-2-carboxylic acid lauryl ester Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C#N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C#N

InChI

InChI=1S/C27H33NO3/c1-2-3-4-5-6-7-8-9-10-13-18-30-27(29)21-16-17-26-23(19-21)24(20-28)22-14-11-12-15-25(22)31-26/h11-12,14-17,19,24H,2-10,13,18H2,1H3