carbocyanin DBTC(1+) (Q27123682)

carbocyanin DBTC cation (English)

6 October 2016

chemical formula

C₃₀H₂₇N₂S₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCN1C(=CC(=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)C)SC5=C1C6=CC=CC=C6C=C5

1 reference

carbocyanin DBTC cation (English)

6 October 2016

isomeric SMILES

CCN1/C(=C/C(=C/C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/C)/SC5=C1C6=CC=CC=C6C=C5

1 reference

carbocyanin DBTC cation (English)

InChI=1S/C30H27N2S2/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28/h6-19H,4-5H2,1-3H3/q+1

6 October 2016

Identifiers

InChI

1 reference

carbocyanin DBTC cation (English)

CDUZMYHPBLVJHK-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

carbocyanin DBTC cation (English)

6 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

1-Ethyl-2-[(1E,3Z)-3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-2-methyl-1-propen-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium (English)

6 October 2016

1 reference

carbocyanin DBTC cation (English)

6 October 2016

ChEBI ID

52919

mapping relation type

1 reference