2-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[(6-methoxychroman-3-yl)methyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[(6-methoxychroman-3-yl)methyl]-4-methyl-besylic acid Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2CC3=C(C=CC(=C3)OC)OC2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2CC3=C(C=CC(=C3)OC)OC2

InChI

InChI=1S/C18H20O5S/c1-12-3-6-18(24(19,20)21)15(7-12)9-13-8-14-10-16(22-2)4-5-17(14)23-11-13/h3-7,10,13H,8-9,11H2,1-2H3,(H,19,20,21)