(E)-3-methyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pent-2-en-4-ynoate

Systemtic Name: (E)-3-methyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pent-2-en-4-ynoate Openeye Name: (E)-3-methyl-5-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanyl-pent-2-en-4-ynoate CAS Name: (E)-3-methyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]pent-2-en-4-ynoate IUPAC Name: (E)-3-methyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pent-2-en-4-ynoate Traditional Name: (E)-3-methyl-5-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]pent-2-en-4-ynoate Formula: C21H25O2S- MolecularWeight: 341.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC#CC(=CC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC#C/C(=C/C(=O)[O-])/C

InChI

InChI=1S/C21H26O2S/c1-14(11-19(22)23)7-10-24-18-13-17-16(12-15(18)2)20(3,4)8-9-21(17,5)6/h11-13H,8-9H2,1-6H3,(H,22,23)/p-1/b14-11+