[(1E,3E,7E)-9-[(2E,6E,8E)-3,7-dimethyl-5-(phenylsulfonyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl]sulfonyl-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-yl]sulfonylbenzene

Systemtic Name: [(1E,3E,7E)-9-[(2E,6E,8E)-3,7-dimethyl-5-(phenylsulfonyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl]sulfonyl-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-yl]sulfonylbenzene Openeye Name: [(2E,4E)-1-[(E)-4-[(2E,6E,8E)-5-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl]sulfonyl-2-methyl-but-2-enyl]-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]sulfonylbenzene CAS Name: [(1E,3E,7E)-9-[(2E,6E,8E)-5-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6,8-trienyl]sulfonyl-3,7-dimethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)nona-1,3,7-trien-5-yl]sulfonylbenzene IUPAC Name: [(1E,3E,7E)-9-[(2E,6E,8E)-5-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl]sulfonyl-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-yl]sulfonylbenzene Traditional Name: [(2E,4E)-1-[(E)-4-[(2E,6E,8E)-5-besyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6,8-trienyl]sulfonyl-2-methyl-but-2-enyl]-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]sulfonylbenzene Formula: C52H70O6S3 MolecularWeight: 887.3036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=CC(CC(=CCS(=O)(=O)CC=C(C)CC(C=C(C)C=CC2=C(CCCC2(C)C)C)S(=O)(=O)C3=CC=CC=C3)C)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C(S(=O)(=O)C2=CC=CC=C2)C/C(=C/CS(=O)(=O)C/C=C(/CC(S(=O)(=O)C3=CC=CC=C3)/C=C(/C=C/C4=C(CCCC4(C)C)C)\C)\C)/C)/C

InChI

InChI=1S/C52H70O6S3/c1-39(25-27-49-43(5)19-17-31-51(49,7)8)35-47(60(55,56)45-21-13-11-14-22-45)37-41(3)29-33-59(53,54)34-30-42(4)38-48(61(57,58)46-23-15-12-16-24-46)36-40(2)26-28-50-44(6)20-18-32-52(50,9)10/h11-16,21-30,35-36,47-48H,17-20,31-34,37-38H2,1-10H3/b27-25+,28-26+,39-35+,40-36+,41-29+,42-30+