dimethyl 5-[[4-butan-2-yl-3-(phenylmethyl)-2-propan-2-yl-cyclohexa-1,3-dien-1-yl]methyl]benzene-1,3-disulfonate

Systemtic Name: dimethyl 5-[[4-butan-2-yl-3-(phenylmethyl)-2-propan-2-yl-cyclohexa-1,3-dien-1-yl]methyl]benzene-1,3-disulfonate Openeye Name: dimethyl 5-[(3-benzyl-2-isopropyl-4-sec-butyl-cyclohexa-1,3-dien-1-yl)methyl]benzene-1,3-disulfonate CAS Name: 5-[[4-butan-2-yl-3-(phenylmethyl)-2-propan-2-yl-1-cyclohexa-1,3-dienyl]methyl]benzene-1,3-disulfonic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-benzyl-4-butan-2-yl-2-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]benzene-1,3-disulfonate Traditional Name: 5-[(3-benzyl-2-isopropyl-4-sec-butyl-cyclohexa-1,3-dien-1-yl)methyl]benzene-1,3-disulfonic acid dimethyl ester Formula: C29H38O6S2 MolecularWeight: 546.73842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=C(CC1)CC2=CC(=CC(=C2)S(=O)(=O)OC)S(=O)(=O)OC)C(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=C(C(=C(CC1)CC2=CC(=CC(=C2)S(=O)(=O)OC)S(=O)(=O)OC)C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C29H38O6S2/c1-7-21(4)27-14-13-24(29(20(2)3)28(27)18-22-11-9-8-10-12-22)15-23-16-25(36(30,31)34-5)19-26(17-23)37(32,33)35-6/h8-12,16-17,19-21H,7,13-15,18H2,1-6H3