2-sulfooxyethyl 4-[(2E)-2-[3,6-bis(dioxidanylmethyl)-2-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzenesulfinate

Systemtic Name: 2-sulfooxyethyl 4-[(2E)-2-[3,6-bis(dioxidanylmethyl)-2-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzenesulfinate Openeye Name: 2-sulfooxyethyl 4-[(2E)-2-[3,6-bis(hydroperoxymethyl)-2-oxo-1-naphthylidene]hydrazino]benzenesulfinate CAS Name: 4-[(2E)-2-[3,6-bis(hydroperoxymethyl)-2-oxo-1-naphthalenylidene]hydrazinyl]benzenesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 4-[(2E)-2-[3,6-bis(hydroperoxymethyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]benzenesulfinate Traditional Name: 4-[(N'E)-N'-[3,6-bis(hydroperoxymethyl)-2-keto-1-naphthylidene]hydrazino]benzenesulfinic acid 2-sulfoxyethyl ester Formula: C20H20N2O11S2 MolecularWeight: 528.5096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C3=C(C=C(C=C3)COO)C=C(C2=O)COO)S(=O)OCCOS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C3=C(C=C(C=C3)COO)C=C(C2=O)COO)S(=O)OCCOS(=O)(=O)O

InChI

InChI=1S/C20H20N2O11S2/c23-20-15(12-31-25)10-14-9-13(11-30-24)1-6-18(14)19(20)22-21-16-2-4-17(5-3-16)34(26)32-7-8-33-35(27,28)29/h1-6,9-10,21,24-25H,7-8,11-12H2,(H,27,28,29)/b22-19+