7-azanyl-3-[2-[[2,5-bis(oxidanylidene)pyrrol-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl]-4-methyl-2-oxidanylidene-chromene-6-sulfonic acid

Systemtic Name: 7-azanyl-3-[2-[[2,5-bis(oxidanylidene)pyrrol-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl]-4-methyl-2-oxidanylidene-chromene-6-sulfonic acid Openeye Name: 7-amino-3-[2-[(2,5-dioxopyrrol-3-yl)-ethyl-amino]-2-oxo-ethyl]-4-methyl-2-oxo-chromene-6-sulfonic acid CAS Name: 7-amino-3-[2-[(2,5-dioxo-3-pyrrolyl)-ethylamino]-2-oxoethyl]-4-methyl-2-oxo-1-benzopyran-6-sulfonic acid IUPAC Name: 7-amino-3-[2-[(2,5-dioxopyrrol-3-yl)-ethylamino]-2-oxoethyl]-4-methyl-2-oxochromene-6-sulfonic acid Traditional Name: 7-amino-3-[2-[(2,5-diketo-3-pyrrolin-3-yl)-ethyl-amino]-2-keto-ethyl]-2-keto-4-methyl-chromene-6-sulfonic acid Formula: C18H17N3O8S MolecularWeight: 435.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=O)NC1=O)C(=O)CC2=C(C3=CC(=C(C=C3OC2=O)N)S(=O)(=O)O)C

Isomeric SMILES

CCN(C1=CC(=O)NC1=O)C(=O)CC2=C(C3=CC(=C(C=C3OC2=O)N)S(=O)(=O)O)C

InChI

InChI=1S/C18H17N3O8S/c1-3-21(12-7-15(22)20-17(12)24)16(23)5-10-8(2)9-4-14(30(26,27)28)11(19)6-13(9)29-18(10)25/h4,6-7H,3,5,19H2,1-2H3,(H,20,22,24)(H,26,27,28)