CAS Registry Number®
7542-45-2
CAS Name
3,3′-Dihydroxy-β,β-carotene-4,4′-dione
Molecular Formula
C40H52O4
Molecular Mass
596.84
Other Names and Identifiers
InChI
InChI=1/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKey
InChIKey=MQZIGYBFDRPAKN-QISQUURKNA-N
SMILES
C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=1C(C)(C)CC(O)C(=O)C1C)\C)\C)/C)/C)\C=2C(C)(C)CC(O)C(=O)C2C
Canonical SMILES
O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C(=O)C(O)CC2(C)C)C)C)C)C)C)C(C)(C)CC1O)C
Other Names for this Substance
- β,β-Carotene-4,4′-dione, 3,3′-dihydroxy-
- β-Carotene-4,4′-dione, 3,3′-dihydroxy-
- 3,3′-Dihydroxy-β,β-carotene-4,4′-dione