tridecyl 4-[[(E)-[6-methyl-2,4-bis(oxidanylidene)pyran-3-ylidene]methyl]amino]benzoate

Systemtic Name: tridecyl 4-[[(E)-[6-methyl-2,4-bis(oxidanylidene)pyran-3-ylidene]methyl]amino]benzoate Openeye Name: tridecyl 4-[[(E)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]amino]benzoate CAS Name: 4-[[(E)-(6-methyl-2,4-dioxo-3-pyranylidene)methyl]amino]benzoic acid tridecyl ester IUPAC Name: tridecyl 4-[[(E)-(6-methyl-2,4-dioxopyran-3-ylidene)methyl]amino]benzoate Traditional Name: 4-[[(E)-(2,4-diketo-6-methyl-pyran-3-ylidene)methyl]amino]benzoic acid tridecyl ester Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)C=C(OC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N/C=C/2\C(=O)C=C(OC2=O)C

InChI

InChI=1S/C27H37NO5/c1-3-4-5-6-7-8-9-10-11-12-13-18-32-26(30)22-14-16-23(17-15-22)28-20-24-25(29)19-21(2)33-27(24)31/h14-17,19-20,28H,3-13,18H2,1-2H3/b24-20+