2-methoxy-5-[2-phenyl-1-(phenylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[2-phenyl-1-(phenylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]benzenesulfonic acid Openeye Name: 5-(1-benzyl-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl)-2-methoxy-benzenesulfonic acid CAS Name: 2-methoxy-5-[2-phenyl-1-(phenylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]benzenesulfonic acid IUPAC Name: 5-(1-benzyl-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl)-2-methoxybenzenesulfonic acid Traditional Name: 5-(1-benzyl-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl)-2-methoxy-besylic acid Formula: C33H28NO4S+ MolecularWeight: 534.64472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=[N+](C3=C2CCC4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=CC=C6)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=[N+](C3=C2CCC4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=CC=C6)S(=O)(=O)O

InChI

InChI=1S/C33H27NO4S/c1-38-31-19-17-26(20-32(31)39(35,36)37)29-21-30(25-13-6-3-7-14-25)34(22-23-10-4-2-5-11-23)33-27-15-9-8-12-24(27)16-18-28(29)33/h2-15,17,19-21H,16,18,22H2,1H3/p+1