(Q27132161)

crocetin dianion (English)

7 October 2016

chemical formula

C₂₀H₂₂O₄²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=CC=CC=C(C)C=CC=C(C)C(=O)[O-])C=CC=C(C)C(=O)[O-]

1 reference

crocetin dianion (English)

7 October 2016

isomeric SMILES

C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)[O-])/C)/C)/C=C/C=C(/C(=O)[O-])\C

1 reference

crocetin dianion (English)

InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/p-2/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+

7 October 2016

Identifiers

InChI

1 reference

crocetin dianion (English)

PANKHBYNKQNAHN-MQQNZMFNSA-L

7 October 2016

InChIKey

2 references

crocetin dianion (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate (English)

7 October 2016

1 reference

crocetin dianion (English)

7 October 2016

ChEBI ID

62767

mapping relation type

1 reference