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

Systemtic Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinolin-6-yl]phenyl] propane-1-sulfonate Openeye Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinolin-6-yl]phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitrophenoxy)methyl]-1H-quinolin-6-yl]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinolin-6-yl]phenyl] ester Formula: C30H34N2O7S MolecularWeight: 566.66516

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=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

CCCS(=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/C30H34N2O7S/c1-7-14-40(35,36)39-22-10-11-24(28(16-22)37-6)23-12-13-26-29(20(3)17-30(4,5)31-26)25(23)18-38-27-15-21(32(33)34)9-8-19(27)2/h8-13,15-17,31H,7,14,18H2,1-6H3