methyl 3-[[5-dodecoxy-6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]methylsulfonyl]benzoate

Systemtic Name: methyl 3-[[5-dodecoxy-6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]methylsulfonyl]benzoate Openeye Name: methyl 3-[[5-dodecoxy-6-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2-pyridyl]methylsulfonyl]benzoate CAS Name: 3-[[5-dodecoxy-6-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-pyridinyl]methylsulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-dodecoxy-6-[(E)-3-methoxy-3-oxoprop-1-enyl]pyridin-2-yl]methylsulfonyl]benzoate Traditional Name: 3-[[6-[(E)-3-keto-3-methoxy-prop-1-enyl]-5-lauryloxy-2-pyridyl]methylsulfonyl]benzoic acid methyl ester Formula: C30H41NO7S MolecularWeight: 559.71404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(N=C(C=C1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)OC)C=CC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(N=C(C=C1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)OC)/C=C/C(=O)OC

InChI

InChI=1S/C30H41NO7S/c1-4-5-6-7-8-9-10-11-12-13-21-38-28-19-17-25(31-27(28)18-20-29(32)36-2)23-39(34,35)26-16-14-15-24(22-26)30(33)37-3/h14-20,22H,4-13,21,23H2,1-3H3/b20-18+