4-methylbenzenesulfonic acid; 8-[2-oxidanyl-3-[(phenylmethyl)-propyl-amino]propoxy]-3-phenyl-chromen-4-one

Systemtic Name: 4-methylbenzenesulfonic acid; 8-[2-oxidanyl-3-[(phenylmethyl)-propyl-amino]propoxy]-3-phenyl-chromen-4-one Openeye Name: 8-[3-[benzyl(propyl)amino]-2-hydroxy-propoxy]-3-phenyl-chromen-4-one; 4-methylbenzenesulfonic acid CAS Name: 8-[2-hydroxy-3-[(phenylmethyl)-propylamino]propoxy]-3-phenyl-1-benzopyran-4-one; 4-methylbenzenesulfonic acid IUPAC Name: 8-[3-[benzyl(propyl)amino]-2-hydroxypropoxy]-3-phenylchromen-4-one; 4-methylbenzenesulfonic acid Traditional Name: 8-[3-[benzyl(propyl)amino]-2-hydroxy-propoxy]-3-phenyl-chromone; tosylic acid Formula: C35H37NO7S MolecularWeight: 615.73578

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)CC(COC2=CC=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCN(CC1=CC=CC=C1)CC(COC2=CC=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C28H29NO4.C7H8O3S/c1-2-16-29(17-21-10-5-3-6-11-21)18-23(30)19-32-26-15-9-14-24-27(31)25(20-33-28(24)26)22-12-7-4-8-13-22;1-6-2-4-7(5-3-6)11(8,9)10/h3-15,20,23,30H,2,16-19H2,1H3;2-5H,1H3,(H,8,9,10)