nerindocianine sodium (CHEBI:757572)

CHEBI:757572 - nerindocianine sodium

Formula	Na.C44H48N2O16S5.Na.Na.Na
Net Charge	0
Average Mass	1113.161
Monoisotopic Mass	1112.11982
SMILES	CC1(C)C(/C=C/C2=C(Oc3ccc(S(=O)(=O)[O-])cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+].[Na+].[Na+]
InChI	InChI=1S/C44H52N2O16S5.4Na/c1-43(2)36-28-34(66(56,57)58)18-20-38(36)45(24-5-7-26-63(47,48)49)40(43)22-12-30-10-9-11-31(42(30)62-32-14-16-33(17-15-32)65(53,54)55)13-23-41-44(3,4)37-29-35(67(59,60)61)19-21-39(37)46(41)25-6-8-27-64(50,51)52;;;;/h12-23,28-29H,5-11,24-27H2,1-4H3,(H4-,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);;;;/q;4*+1/p-4
InChIKey	SFJHDNDCNUTGQM-UHFFFAOYSA-J

ChEBI Ontology

Outgoing Relation(s)
	nerindocianine sodium (CHEBI:757572) is a indoles (CHEBI:24828)