[3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinolin-6-yl]phenyl] ethanesulfonate

Systemtic Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinolin-6-yl]phenyl] ethanesulfonate Openeye Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinolin-6-yl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitrophenoxy)methyl]-1H-quinolin-6-yl]phenyl] ester IUPAC Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitrophenoxy)methyl]-1H-quinolin-6-yl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinolin-6-yl]phenyl] ester Formula: C29H32N2O7S MolecularWeight: 552.63858

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC(=C(C=C1)C2=C(C3=C(C=C2)NC(C=C3C)(C)C)COC4=C(C=CC(=C4)[N+](=O)[O-])C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC(=C(C=C1)C2=C(C3=C(C=C2)NC(C=C3C)(C)C)COC4=C(C=CC(=C4)[N+](=O)[O-])C)OC

InChI

InChI=1S/C29H32N2O7S/c1-7-39(34,35)38-21-10-11-23(27(15-21)36-6)22-12-13-25-28(19(3)16-29(4,5)30-25)24(22)17-37-26-14-20(31(32)33)9-8-18(26)2/h8-16,30H,7,17H2,1-6H3