hexyl 3-[4-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidene(phenyl)methyl]phenoxy]-4-methyl-benzenesulfonate

Systemtic Name: hexyl 3-[4-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidene(phenyl)methyl]phenoxy]-4-methyl-benzenesulfonate Openeye Name: hexyl 4-methyl-3-[4-[(Z)-phenyl(tetralin-1-ylidene)methyl]phenoxy]benzenesulfonate CAS Name: 3-[4-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidene(phenyl)methyl]phenoxy]-4-methylbenzenesulfonic acid hexyl ester IUPAC Name: hexyl 3-[4-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidene(phenyl)methyl]phenoxy]-4-methylbenzenesulfonate Traditional Name: 4-methyl-3-[4-[(Z)-phenyl(tetralin-1-ylidene)methyl]phenoxy]benzenesulfonic acid hexyl ester Formula: C36H38O4S MolecularWeight: 566.74952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOS(=O)(=O)C1=CC(=C(C=C1)C)OC2=CC=C(C=C2)C(=C3CCCC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOS(=O)(=O)C1=CC(=C(C=C1)C)OC2=CC=C(C=C2)/C(=C\3/CCCC4=CC=CC=C43)/C5=CC=CC=C5

InChI

InChI=1S/C36H38O4S/c1-3-4-5-11-25-39-41(37,38)32-24-19-27(2)35(26-32)40-31-22-20-30(21-23-31)36(29-14-7-6-8-15-29)34-18-12-16-28-13-9-10-17-33(28)34/h6-10,13-15,17,19-24,26H,3-5,11-12,16,18,25H2,1-2H3/b36-34-