[2-methyl-5-(6-methyl-7-oxidanyl-hepta-1,4,5-trien-2-yl)-4-oxidanyl-3-phenylmethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-5-(6-methyl-7-oxidanyl-hepta-1,4,5-trien-2-yl)-4-oxidanyl-3-phenylmethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [3-benzyloxy-4-hydroxy-5-(6-hydroxy-5-methyl-1-methylene-hexa-3,4-dienyl)-2-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-hydroxy-5-(7-hydroxy-6-methylhepta-1,4,5-trien-2-yl)-2-methyl-3-phenylmethoxyphenyl] ester IUPAC Name: [4-hydroxy-5-(7-hydroxy-6-methylhepta-1,4,5-trien-2-yl)-2-methyl-3-phenylmethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-benzoxy-4-hydroxy-5-(6-hydroxy-5-methyl-1-methylene-hexa-3,4-dienyl)-2-methyl-phenyl] ester Formula: C29H30O6S MolecularWeight: 506.6099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2)C(=C)CC=C=C(C)CO)O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2)C(=C)CC=C=C(C)CO)O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C29H30O6S/c1-20-13-15-25(16-14-20)36(32,33)35-27-17-26(22(3)10-8-9-21(2)18-30)28(31)29(23(27)4)34-19-24-11-6-5-7-12-24/h5-8,11-17,30-31H,3,10,18-19H2,1-2,4H3