9-(7-methoxy-3-methyl-3-pyridin-4-yl-2,4-dihydrochromen-4-yl)nonyl methanesulfonate

Systemtic Name: 9-(7-methoxy-3-methyl-3-pyridin-4-yl-2,4-dihydrochromen-4-yl)nonyl methanesulfonate Openeye Name: 9-[7-methoxy-3-methyl-3-(4-pyridyl)chroman-4-yl]nonyl methanesulfonate CAS Name: methanesulfonic acid 9-(7-methoxy-3-methyl-3-pyridin-4-yl-3,4-dihydro-2H-1-benzopyran-4-yl)nonyl ester IUPAC Name: 9-(7-methoxy-3-methyl-3-pyridin-4-yl-2,4-dihydrochromen-4-yl)nonyl methanesulfonate Traditional Name: methanesulfonic acid 9-[7-methoxy-3-methyl-3-(4-pyridyl)chroman-4-yl]nonyl ester Formula: C26H37NO5S MolecularWeight: 475.64068

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1CCCCCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CC1(COC2=C(C1CCCCCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C26H37NO5S/c1-26(21-14-16-27-17-15-21)20-31-25-19-22(30-2)12-13-23(25)24(26)11-9-7-5-4-6-8-10-18-32-33(3,28)29/h12-17,19,24H,4-11,18,20H2,1-3H3