(6-methanidyl-3,5-dihydro-2H-1,4-benzodioxin-5-id-3-yl)methyl 4-methylbenzenesulfonate; yttrium(3+)

Systemtic Name: (6-methanidyl-3,5-dihydro-2H-1,4-benzodioxin-5-id-3-yl)methyl 4-methylbenzenesulfonate; yttrium(3+) Openeye Name: (6-methanidyl-3,5-dihydro-2H-1,4-benzodioxin-5-id-3-yl)methyl 4-methylbenzenesulfonate; yttrium(3+) CAS Name: 4-methylbenzenesulfonic acid (6-methanidyl-3,5-dihydro-2H-1,4-benzodioxin-5-id-3-yl)methyl ester; yttrium(3+) IUPAC Name: (6-methanidyl-3,5-dihydro-2H-1,4-benzodioxin-5-id-3-yl)methyl 4-methylbenzenesulfonate; yttrium(3+) Traditional Name: 4-methylbenzenesulfonic acid (6-methanidyl-3,5-dihydro-2H-1,4-benzodioxin-5-id-3-yl)methyl ester; yttrium(3+) Formula: C17H16O5SY+ MolecularWeight: 421.27679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)[C-]=C(C=C3)[CH2-].[Y+3]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)[C-]=C(C=C3)[CH2-].[Y+3]

InChI

InChI=1S/C17H16O5S.Y/c1-12-3-6-15(7-4-12)23(18,19)21-11-14-10-20-16-8-5-13(2)9-17(16)22-14;/h3-8,14H,2,10-11H2,1H3;/q-2;+3