octadecyl (Z)-3-(1-tert-butylcyclohexa-2,4-dien-1-yl)-4,4-dimethyl-2-oxidanyl-pent-2-enoate

Systemtic Name: octadecyl (Z)-3-(1-tert-butylcyclohexa-2,4-dien-1-yl)-4,4-dimethyl-2-oxidanyl-pent-2-enoate Openeye Name: octadecyl (Z)-3-(1-tert-butylcyclohexa-2,4-dien-1-yl)-2-hydroxy-4,4-dimethyl-pent-2-enoate CAS Name: (Z)-3-(1-tert-butyl-1-cyclohexa-2,4-dienyl)-2-hydroxy-4,4-dimethyl-2-pentenoic acid octadecyl ester IUPAC Name: octadecyl (Z)-3-(1-tert-butylcyclohexa-2,4-dien-1-yl)-2-hydroxy-4,4-dimethylpent-2-enoate Traditional Name: (Z)-3-(1-tert-butylcyclohexa-2,4-dien-1-yl)-2-hydroxy-4,4-dimethyl-pent-2-enoic acid stearyl ester Formula: C35H62O3 MolecularWeight: 530.86498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(=C(C1(CC=CC=C1)C(C)(C)C)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)/C(=C(/C1(CC=CC=C1)C(C)(C)C)\C(C)(C)C)/O

InChI

InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-38-32(37)30(36)31(33(2,3)4)35(34(5,6)7)27-24-23-25-28-35/h23-25,27,36H,8-22,26,28-29H2,1-7H3/b31-30-