CypHer5 (Q27123571)

6-{(2Z)-2-[(1Z,2E,4E)-5-(3,3-Dimethyl-5-sulfo-3H-indol-2-yl)-2,4-pentadien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoic acid (English)

retrieved

6 October 2016

chemical formula

C₃₁H₃₆N₂O₈S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)C=2C=C(C=CC2N=C1C=CC=CC=C3C(C)(C)C=4C=C(C=CC4N3CCCCCC(=O)O)S(O)(=O)=O)S(O)(=O)=O

1 reference

language of work or name

CypHer5 (English)

6 October 2016

CC1(C2=CC(=CC=C2N=C1/C=C/C=C/C=C\3/C(C4=CC(=CC=C4N3CCCCCC(=O)O)S(=O)(=O)O)(C)C)S(=O)(=O)O)C

1 reference

language of work or name

English

title

6-{(2Z)-2-[(1Z,2E,4E)-5-(3,3-Dimethyl-5-sulfo-3H-indol-2-yl)-2,4-pentadien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoic acid (English)

retrieved

6 October 2016

Identifiers

InChI

InChI=1S/C31H36N2O8S2/c1-30(2)23-19-21(42(36,37)38)14-16-25(23)32-27(30)11-7-5-8-12-28-31(3,4)24-20-22(43(39,40)41)15-17-26(24)33(28)18-10-6-9-13-29(34)35/h5,7-8,11-12,14-17,19-20H,6,9-10,13,18H2,1-4H3,(H,34,35)(H,36,37,38)(H,39,40,41)/b8-5+,11-7+,28-12-

1 reference

based on heuristic

inferred from SMILES

InChIKey

VRQVBVFJEIJSIE-UHFFFAOYSA-N

2 references

language of work or name

CypHer5 (English)

6 October 2016

ChEBI release 2020-09-01

2 references

language of work or name

CypHer5 (English)

6 October 2016

7 April 2021

https://commonchemistry.cas.org/detail?cas_rn=312961-83-4

InChIKey

VRQVBVFJEIJSIE-UHFFFAOYSA-N

1 reference

language of work or name

English

title

6-{(2Z)-2-[(1Z,2E,4E)-5-(3,3-Dimethyl-5-sulfo-3H-indol-2-yl)-2,4-pentadien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoic acid (English)

6 October 2016

1 reference

26 December 2021